(2S)-N-[2-hydroxy-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide

C17H30N4O5 — CID 58605510

IUPAC(2S)-N-[2-hydroxy-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide
SMILESCCCC(NC(=O)[C@@H]1CC(=O)CN1C)C(O)C(=O)NCC(=O)NC(C)C
InChIInChI=1S/C17H30N4O5/c1-5-6-12(20-16(25)13-7-11(22)9-21(13)4)15(24)17(26)18-8-14(23)19-10(2)3/h10,12-13,15,24H,5-9H2,1-4H3,(H,18,26)(H,19,23)(H,20,25)/t12?,13-,15?/m0/s1
InChIKeyHVQOMCCCXFWHPO-OWYJLGKBSA-N
MW370.45 g/mol
LogP-1.45
Rot. Bonds9

About (2S)-N-[2-hydroxy-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide

(2S)-N-[2-hydroxy-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide (PubChem CID 58605510) has the molecular formula C17H30N4O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2S)-N-[2-hydroxy-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-hydroxy-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide
PubChem CID58605510
Molecular FormulaC17H30N4O5
Molecular Weight370.45 g/mol
Exact Mass370.22
IUPAC Name(2S)-N-[2-hydroxy-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide
SMILESCCCC(NC(=O)[C@@H]1CC(=O)CN1C)C(O)C(=O)NCC(=O)NC(C)C
InChIInChI=1S/C17H30N4O5/c1-5-6-12(20-16(25)13-7-11(22)9-21(13)4)15(24)17(26)18-8-14(23)19-10(2)3/h10,12-13,15,24H,5-9H2,1-4H3,(H,18,26)(H,19,23)(H,20,25)/t12?,13-,15?/m0/s1
InChIKeyHVQOMCCCXFWHPO-OWYJLGKBSA-N
XLogP-1.45
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[2-hydroxy-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-hydroxy-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide
CID 21017152
N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide
CID 148832153
N-[2-hydroxy-1-oxo-1-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]amino]hexan-3-yl]-7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
CID 21017148
N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide
CID 58908933
(8S)-7-ethyl-N-[2-hydroxy-1-oxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
CID 58604847
2-hydroxy-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide
CID 158166842
tert-butyl 8-[[1-(ethylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-1,4-dithia-7-azaspiro[4.4]nonane-7-carboxylate
CID 23521152
1-hydroperoxybenzotriazole;N-[2-hydroxy-1-oxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]-7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
CID 91149969
N-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide
CID 142110705
[(3S)-1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamic acid
CID 68554414
tert-butyl (8S)-8-[[1-[[2-[[(1S)-2-butoxy-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-1,4-dithia-7-azaspiro[4.4]nonane-7-carboxylate
CID 89328171
(2S,4R)-1-[(2S)-2-[(2-acetylbenzoyl)amino]-2-cyclohexylacetyl]-N-[2-hydroxy-1-oxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenyl-2-(phosphanylamino)ethyl]amino]ethyl]amino]hexan-3-yl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
CID 58605919

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-hydroxy-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-hydroxy-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide (CID 58605510) is (2S)-N-[2-hydroxy-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-hydroxy-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-hydroxy-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide is CCCC(NC(=O)[C@@H]1CC(=O)CN1C)C(O)C(=O)NCC(=O)NC(C)C.
What is the InChIKey of (2S)-N-[2-hydroxy-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide?
The InChIKey is HVQOMCCCXFWHPO-OWYJLGKBSA-N. The full InChI is InChI=1S/C17H30N4O5/c1-5-6-12(20-16(25)13-7-11(22)9-21(13)4)15(24)17(26)18-8-14(23)19-10(2)3/h10,12-13,15,24H,5-9H2,1-4H3,(H,18,26)(H,19,23)(H,20,25)/t12?,13-,15?/m0/s1.
What are the key properties of (2S)-N-[2-hydroxy-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide?
(2S)-N-[2-hydroxy-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of -1.45, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-hydroxy-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 58605510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).