(2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid

C13H20N2O6 — CID 61153323

IUPAC(2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid
SMILESCC(C)N1CC(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC1=O
InChIInChI=1S/C13H20N2O6/c1-7(2)15-6-8(5-10(15)16)12(19)14-9(13(20)21)3-4-11(17)18/h7-9H,3-6H2,1-2H3,(H,14,19)(H,17,18)(H,20,21)/t8?,9-/m0/s1
InChIKeyRJFMLFCGZLGPKR-GKAPJAKFSA-N
MW300.31 g/mol
LogP-0.32
Rot. Bonds7

About (2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid

(2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid (PubChem CID 61153323) has the molecular formula C13H20N2O6 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid
PubChem CID61153323
Molecular FormulaC13H20N2O6
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name(2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid
SMILESCC(C)N1CC(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC1=O
InChIInChI=1S/C13H20N2O6/c1-7(2)15-6-8(5-10(15)16)12(19)14-9(13(20)21)3-4-11(17)18/h7-9H,3-6H2,1-2H3,(H,14,19)(H,17,18)(H,20,21)/t8?,9-/m0/s1
InChIKeyRJFMLFCGZLGPKR-GKAPJAKFSA-N
XLogP-0.32
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid with MolForge

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Related Compounds

(2R)-3-hydroxy-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 80749560
4-methylsulfanyl-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 43353443
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 43355333
(4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
CID 124626221
(4S)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
CID 124626219
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 43170550
2-(cyclobutanecarbonylamino)pentanedioic acid
CID 60657073
(3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400697
2-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 65220584
2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119349166
4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 61244580
5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid
CID 43358672

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid?
The IUPAC name of (2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid (CID 61153323) is (2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid is CC(C)N1CC(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC1=O.
What is the InChIKey of (2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid?
The InChIKey is RJFMLFCGZLGPKR-GKAPJAKFSA-N. The full InChI is InChI=1S/C13H20N2O6/c1-7(2)15-6-8(5-10(15)16)12(19)14-9(13(20)21)3-4-11(17)18/h7-9H,3-6H2,1-2H3,(H,14,19)(H,17,18)(H,20,21)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid?
(2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid has a molecular weight of 300.31 g/mol, XLogP of -0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid is sourced from PubChem (CID 61153323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).