(2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide

C14H19N3O2 — CID 61179637

IUPAC(2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)Cc1ccccc1NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H19N3O2/c1-15-13(18)9-10-5-2-3-6-11(10)17-14(19)12-7-4-8-16-12/h2-3,5-6,12,16H,4,7-9H2,1H3,(H,15,18)(H,17,19)/t12-/m0/s1
InChIKeyDHVKUMVXJDYZMN-LBPRGKRZSA-N
MW261.32 g/mol
LogP0.67
Rot. Bonds4

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

(2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 61179637) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID61179637
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)Cc1ccccc1NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H19N3O2/c1-15-13(18)9-10-5-2-3-6-11(10)17-14(19)12-7-4-8-16-12/h2-3,5-6,12,16H,4,7-9H2,1H3,(H,15,18)(H,17,19)/t12-/m0/s1
InChIKeyDHVKUMVXJDYZMN-LBPRGKRZSA-N
XLogP0.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid
CID 62534786
N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 43710720
2-[2-(azepane-2-carbonylamino)phenyl]acetic acid
CID 64568355
N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide
CID 64563986
(2R)-N-[2-[(dimethylamino)methyl]phenyl]piperidine-2-carboxamide
CID 104912781
N-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43712468
(3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide
CID 81124526
N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide
CID 64563598
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
N-(2-acetylphenyl)piperidine-2-carboxamide
CID 110462300
N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 43710867
N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide (CID 61179637) is (2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide is CNC(=O)Cc1ccccc1NC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is DHVKUMVXJDYZMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-13(18)9-10-5-2-3-6-11(10)17-14(19)12-7-4-8-16-12/h2-3,5-6,12,16H,4,7-9H2,1H3,(H,15,18)(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide?
(2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61179637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).