(3S,4S)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylpyrrolidine-3-carboxamide

C13H23N3O2 — CID 114084796

IUPAC(3S,4S)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylpyrrolidine-3-carboxamide
SMILESC[C@@H]1CNC[C@H]1C(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C13H23N3O2/c1-9-6-15-7-11(9)13(18)16(8-12(14)17)10-4-2-3-5-10/h9-11,15H,2-8H2,1H3,(H2,14,17)/t9-,11-/m1/s1
InChIKeyLOVXVBDYTBAPJV-MWLCHTKSSA-N
MW253.35 g/mol
LogP0.10
Rot. Bonds4

About (3S,4S)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylpyrrolidine-3-carboxamide

(3S,4S)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylpyrrolidine-3-carboxamide (PubChem CID 114084796) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (3S,4S)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylpyrrolidine-3-carboxamide
PubChem CID114084796
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(3S,4S)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylpyrrolidine-3-carboxamide
SMILESC[C@@H]1CNC[C@H]1C(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C13H23N3O2/c1-9-6-15-7-11(9)13(18)16(8-12(14)17)10-4-2-3-5-10/h9-11,15H,2-8H2,1H3,(H2,14,17)/t9-,11-/m1/s1
InChIKeyLOVXVBDYTBAPJV-MWLCHTKSSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-N-ethyl-4-methylpyrrolidine-3-carboxamide
CID 103101983
N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63714593
N-(2-amino-2-oxoethyl)-N-piperidin-3-ylcyclopentanecarboxamide
CID 60801225
N-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 55230734
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylcyclopentanecarboxamide
CID 54923795
(3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide
CID 66936245
(2R)-N-(2-amino-2-oxoethyl)-N-cyclopentylpyrrolidine-2-carboxamide
CID 93372174
2-[acetyl(piperidin-3-yl)amino]acetamide
CID 60802262
N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-ylcyclopropanecarboxamide
CID 60806195
(3S,4S)-N-(4-ethylcyclohexyl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 98540092
4-methyl-N,N-dipropylpyrrolidine-3-carboxamide
CID 63720792
2-[methyl-(4-methylpyrrolidin-3-yl)amino]acetamide
CID 81460239

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylpyrrolidine-3-carboxamide (CID 114084796) is (3S,4S)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylpyrrolidine-3-carboxamide is C[C@@H]1CNC[C@H]1C(=O)N(CC(N)=O)C1CCCC1.
What is the InChIKey of (3S,4S)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylpyrrolidine-3-carboxamide?
The InChIKey is LOVXVBDYTBAPJV-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9-6-15-7-11(9)13(18)16(8-12(14)17)10-4-2-3-5-10/h9-11,15H,2-8H2,1H3,(H2,14,17)/t9-,11-/m1/s1.
What are the key properties of (3S,4S)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylpyrrolidine-3-carboxamide?
(3S,4S)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylpyrrolidine-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114084796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).