(2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

C9H17N3O2 — CID 61467430

IUPAC(2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C(C)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C9H17N3O2/c1-6(8(13)10-2)12-9(14)7-4-3-5-11-7/h6-7,11H,3-5H2,1-2H3,(H,10,13)(H,12,14)/t6?,7-/m0/s1
InChIKeyHXFQLWYLNFAMQA-MLWJPKLSSA-N
MW199.25 g/mol
LogP-1.01
Rot. Bonds3

About (2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

(2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 61467430) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
PubChem CID61467430
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C(C)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C9H17N3O2/c1-6(8(13)10-2)12-9(14)7-4-3-5-11-7/h6-7,11H,3-5H2,1-2H3,(H,10,13)(H,12,14)/t6?,7-/m0/s1
InChIKeyHXFQLWYLNFAMQA-MLWJPKLSSA-N
XLogP-1.01
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
CID 61155752
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid
CID 18223425
3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]piperidine-2-carboxamide
CID 62340143
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598
methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
CID 119291009
N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperazine-2-carboxamide
CID 167160475
6-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]piperidine-2-carboxamide
CID 61467409
(2R)-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxamide
CID 103808196
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 113235709
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 164654399
4-amino-4-oxo-2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]butanoic acid
CID 18223420

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (CID 61467430) is (2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide is CNC(=O)C(C)NC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is HXFQLWYLNFAMQA-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6(8(13)10-2)12-9(14)7-4-3-5-11-7/h6-7,11H,3-5H2,1-2H3,(H,10,13)(H,12,14)/t6?,7-/m0/s1.
What are the key properties of (2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 199.25 g/mol, XLogP of -1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61467430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).