5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid

C12H19N3O5 — CID 43358672

IUPAC5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid
SMILESCCN1CC(C(=O)NC(CCC(N)=O)C(=O)O)CC1=O
InChIInChI=1S/C12H19N3O5/c1-2-15-6-7(5-10(15)17)11(18)14-8(12(19)20)3-4-9(13)16/h7-8H,2-6H2,1H3,(H2,13,16)(H,14,18)(H,19,20)
InChIKeyQMGGMFXPSRWWHS-UHFFFAOYSA-N
MW285.30 g/mol
LogP-1.31
Rot. Bonds7

About 5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid

5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 43358672) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid
PubChem CID43358672
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid
SMILESCCN1CC(C(=O)NC(CCC(N)=O)C(=O)O)CC1=O
InChIInChI=1S/C12H19N3O5/c1-2-15-6-7(5-10(15)17)11(18)14-8(12(19)20)3-4-9(13)16/h7-8H,2-6H2,1H3,(H2,13,16)(H,14,18)(H,19,20)
InChIKeyQMGGMFXPSRWWHS-UHFFFAOYSA-N
XLogP-1.31
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid with MolForge

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Related Compounds

(2S)-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820442
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 43469719
(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
CID 107562754
4-amino-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-oxobutanoic acid
CID 43357177
4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 61244580
(2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid
CID 61144342
(2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid
CID 61153323
5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid
CID 64766554
N-(1-amino-4-methylpentan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119588613
N-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 119668568

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid (CID 43358672) is 5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid is CCN1CC(C(=O)NC(CCC(N)=O)C(=O)O)CC1=O.
What is the InChIKey of 5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is QMGGMFXPSRWWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-2-15-6-7(5-10(15)17)11(18)14-8(12(19)20)3-4-9(13)16/h7-8H,2-6H2,1H3,(H2,13,16)(H,14,18)(H,19,20).
What are the key properties of 5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid?
5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 285.30 g/mol, XLogP of -1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 43358672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).