N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide

C27H36N4O4 — CID 59679698

IUPACN-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide
SMILESCOc1ccc2ccccc2c1C(=O)NC1CCC2CCN(C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C21
InChIInChI=1S/C27H36N4O4/c1-15(2)23(30-25(32)16(3)28)27(34)31-14-13-18-9-11-20(24(18)31)29-26(33)22-19-8-6-5-7-17(19)10-12-21(22)35-4/h5-8,10,12,15-16,18,20,23-24H,9,11,13-14,28H2,1-4H3,(H,29,33)(H,30,32)/t16-,18?,20?,23-,24?/m0/s1
InChIKeyWYUZVZHWSWHFBU-PEDSSXNESA-N
MW480.61 g/mol
LogP2.45
Rot. Bonds7

About N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide

N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide (PubChem CID 59679698) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide
PubChem CID59679698
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC NameN-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide
SMILESCOc1ccc2ccccc2c1C(=O)NC1CCC2CCN(C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C21
InChIInChI=1S/C27H36N4O4/c1-15(2)23(30-25(32)16(3)28)27(34)31-14-13-18-9-11-20(24(18)31)29-26(33)22-19-8-6-5-7-17(19)10-12-21(22)35-4/h5-8,10,12,15-16,18,20,23-24H,9,11,13-14,28H2,1-4H3,(H,29,33)(H,30,32)/t16-,18?,20?,23-,24?/m0/s1
InChIKeyWYUZVZHWSWHFBU-PEDSSXNESA-N
XLogP2.45
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide with MolForge

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Related Compounds

N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1H-indazole-3-carboxamide
CID 59679655
(2S)-N-[(2S)-1-[(3aR,6aS)-6-[(2-phenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 143116318
N-[(3aR,6S,6aS)-1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide
CID 126570628
N-[1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2,2-diphenylpropanamide
CID 59679717
(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 158035818
(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide
CID 58678700
(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]butan-2-yl]propanamide
CID 71047646
benzyl (2S)-1-[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate
CID 25241684
benzyl (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate
CID 25241695
N-[1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-benzofuran-3-carboxamide
CID 71094700
1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-[(1R)-1-hydroxy-2-phenylethyl]pyrrolidine-2-carboxamide
CID 59517977
N-[2-(2-bicyclo[2.2.2]octanylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide
CID 69361041

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide?
The IUPAC name of N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide (CID 59679698) is N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide?
The canonical SMILES for N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide is COc1ccc2ccccc2c1C(=O)NC1CCC2CCN(C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C21.
What is the InChIKey of N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide?
The InChIKey is WYUZVZHWSWHFBU-PEDSSXNESA-N. The full InChI is InChI=1S/C27H36N4O4/c1-15(2)23(30-25(32)16(3)28)27(34)31-14-13-18-9-11-20(24(18)31)29-26(33)22-19-8-6-5-7-17(19)10-12-21(22)35-4/h5-8,10,12,15-16,18,20,23-24H,9,11,13-14,28H2,1-4H3,(H,29,33)(H,30,32)/t16-,18?,20?,23-,24?/m0/s1.
What are the key properties of N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide?
N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide is sourced from PubChem (CID 59679698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).