1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;hydrobromide

C17H31BrN4O3 — CID 175808020

IUPAC1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;hydrobromide
SMILESBr.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCCC1C(N)=O)C1CCCCC1
InChIInChI=1S/C17H30N4O3.BrH/c1-11(19-2)16(23)20-14(12-7-4-3-5-8-12)17(24)21-10-6-9-13(21)15(18)22;/h11-14,19H,3-10H2,1-2H3,(H2,18,22)(H,20,23);1H/t11-,13?,14-;/m0./s1
InChIKeyBVWZWUHBRATZOB-MUOYONEVSA-N
MW419.36 g/mol
LogP0.71
Rot. Bonds6

About 1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;hydrobromide

1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;hydrobromide (PubChem CID 175808020) has the molecular formula C17H31BrN4O3 and a molecular weight of 419.36 g/mol. Its IUPAC name is 1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;hydrobromide.

Molecular Properties

Compound Name1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;hydrobromide
PubChem CID175808020
Molecular FormulaC17H31BrN4O3
Molecular Weight419.36 g/mol
Exact Mass418.16
IUPAC Name1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;hydrobromide
SMILESBr.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCCC1C(N)=O)C1CCCCC1
InChIInChI=1S/C17H30N4O3.BrH/c1-11(19-2)16(23)20-14(12-7-4-3-5-8-12)17(24)21-10-6-9-13(21)15(18)22;/h11-14,19H,3-10H2,1-2H3,(H2,18,22)(H,20,23);1H/t11-,13?,14-;/m0./s1
InChIKeyBVWZWUHBRATZOB-MUOYONEVSA-N
XLogP0.71
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;hydrobromide with MolForge

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Related Compounds

(2S)-N-[(1S)-1-cyclohexyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 70943025
(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
CID 71168276
1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxamide
CID 91430942
1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 66608629
N-[2-[2-[(1Z,3E)-1-amino-1-(3,5-dimethylphenyl)hexa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
CID 89278461
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 58492264
(2S)-1-[2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide
CID 155215063
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
CID 134827423
(2R)-1-[(2R)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 58911845
(2S)-1-[2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 134509592
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 131858992
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide
CID 58911772

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;hydrobromide?
The IUPAC name of 1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;hydrobromide (CID 175808020) is 1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;hydrobromide.
What is the SMILES notation for 1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;hydrobromide?
The canonical SMILES for 1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;hydrobromide is Br.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCCC1C(N)=O)C1CCCCC1.
What is the InChIKey of 1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;hydrobromide?
The InChIKey is BVWZWUHBRATZOB-MUOYONEVSA-N. The full InChI is InChI=1S/C17H30N4O3.BrH/c1-11(19-2)16(23)20-14(12-7-4-3-5-8-12)17(24)21-10-6-9-13(21)15(18)22;/h11-14,19H,3-10H2,1-2H3,(H2,18,22)(H,20,23);1H/t11-,13?,14-;/m0./s1.
What are the key properties of 1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;hydrobromide?
1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;hydrobromide has a molecular weight of 419.36 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;hydrobromide is sourced from PubChem (CID 175808020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).