(2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide

C11H21N3O2 — CID 103796173

IUPAC(2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCC(C)CNC(=O)CNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H21N3O2/c1-8(2)6-13-10(15)7-14-11(16)9-4-3-5-12-9/h8-9,12H,3-7H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1
InChIKeyPJBIYAKEJIAFCB-VIFPVBQESA-N
MW227.31 g/mol
LogP-0.37
Rot. Bonds5

About (2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide

(2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 103796173) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID103796173
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCC(C)CNC(=O)CNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H21N3O2/c1-8(2)6-13-10(15)7-14-11(16)9-4-3-5-12-9/h8-9,12H,3-7H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1
InChIKeyPJBIYAKEJIAFCB-VIFPVBQESA-N
XLogP-0.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 10419946
N-[2-oxo-2-(propylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119271449
(2S)-N-[2-oxo-2-[8-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]octylamino]ethyl]pyrrolidine-2-carboxamide
CID 102333341
N-[2-(2-methylpropylamino)-2-oxoethyl]-2-pyrrolidin-2-ylacetamide
CID 112701818
(2S,3R)-3-hydroxy-2-[[2-[[2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]butanoic acid
CID 175911155
N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43419751
N-[2-(cyclopropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43419759
N-(2,3-dimethylbutyl)pyrrolidine-2-carboxamide
CID 64597278
(2S,3R)-3-hydroxy-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanoic acid
CID 145457476
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119272921
N-[2-oxo-2-(propylamino)ethyl]piperidine-2-carboxamide
CID 43516914
(2S)-N-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274176

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 103796173) is (2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide is CC(C)CNC(=O)CNC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is PJBIYAKEJIAFCB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(2)6-13-10(15)7-14-11(16)9-4-3-5-12-9/h8-9,12H,3-7H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1.
What are the key properties of (2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
(2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 103796173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).