N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

C9H17N3O2 — CID 163300708

IUPACN-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
SMILESCC[C@@H](NC(=O)C1CCCN1)C(N)=O
InChIInChI=1S/C9H17N3O2/c1-2-6(8(10)13)12-9(14)7-4-3-5-11-7/h6-7,11H,2-5H2,1H3,(H2,10,13)(H,12,14)/t6-,7?/m1/s1
InChIKeyCEOUFXZUZOOHKX-ULUSZKPHSA-N
MW199.25 g/mol
LogP-0.88
Rot. Bonds4

About N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 163300708) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
PubChem CID163300708
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
SMILESCC[C@@H](NC(=O)C1CCCN1)C(N)=O
InChIInChI=1S/C9H17N3O2/c1-2-6(8(10)13)12-9(14)7-4-3-5-11-7/h6-7,11H,2-5H2,1H3,(H2,10,13)(H,12,14)/t6-,7?/m1/s1
InChIKeyCEOUFXZUZOOHKX-ULUSZKPHSA-N
XLogP-0.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 119709028
(2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 170382323
2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid
CID 104913581
N-(1-amino-1-oxopent-4-en-2-yl)pyrrolidine-2-carboxamide
CID 143555575
(2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
CID 61155752
(3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 143102734
(2R)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 103870279
(2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide
CID 106344923
methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate
CID 14278857
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
CID 80751621
N-pent-1-yn-3-ylpyrrolidine-2-carboxamide
CID 106230323

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide (CID 163300708) is N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide is CC[C@@H](NC(=O)C1CCCN1)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is CEOUFXZUZOOHKX-ULUSZKPHSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-2-6(8(10)13)12-9(14)7-4-3-5-11-7/h6-7,11H,2-5H2,1H3,(H2,10,13)(H,12,14)/t6-,7?/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?
N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 199.25 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 163300708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).