1-(2-anilinoacetyl)pyrrolidine-2-carboxamide

C13H17N3O2 — CID 60860590

IUPAC1-(2-anilinoacetyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)CNc1ccccc1
InChIInChI=1S/C13H17N3O2/c14-13(18)11-7-4-8-16(11)12(17)9-15-10-5-2-1-3-6-10/h1-3,5-6,11,15H,4,7-9H2,(H2,14,18)
InChIKeyJYGMWJKXMFQRLH-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.57
Rot. Bonds4

About 1-(2-anilinoacetyl)pyrrolidine-2-carboxamide

1-(2-anilinoacetyl)pyrrolidine-2-carboxamide (PubChem CID 60860590) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(2-anilinoacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-anilinoacetyl)pyrrolidine-2-carboxamide
PubChem CID60860590
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(2-anilinoacetyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)CNc1ccccc1
InChIInChI=1S/C13H17N3O2/c14-13(18)11-7-4-8-16(11)12(17)9-15-10-5-2-1-3-6-10/h1-3,5-6,11,15H,4,7-9H2,(H2,14,18)
InChIKeyJYGMWJKXMFQRLH-UHFFFAOYSA-N
XLogP0.57
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-anilinoacetyl)piperidine-2-carboxamide
CID 54940061
(2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide
CID 143897244
ethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen
CID 143897546
(2S)-1-(2-anilinoacetyl)azetidine-2-carboxylic acid
CID 22958472
2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid
CID 61372139
(2S)-1-(2-anilinoacetyl)pyrrolidine-2-carbonitrile
CID 71567750
1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide
CID 54874193
2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119701682
2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 71692047
3-(2-carbamoylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 62231270
(2S)-1-(2-anilinoacetyl)pyrrolidine-2-carboxamide;(1S)-2-[(Z)-hept-1-enyl]-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
CID 143897432
1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide
CID 76688417

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilinoacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-anilinoacetyl)pyrrolidine-2-carboxamide (CID 60860590) is 1-(2-anilinoacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-anilinoacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-anilinoacetyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)CNc1ccccc1.
What is the InChIKey of 1-(2-anilinoacetyl)pyrrolidine-2-carboxamide?
The InChIKey is JYGMWJKXMFQRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-13(18)11-7-4-8-16(11)12(17)9-15-10-5-2-1-3-6-10/h1-3,5-6,11,15H,4,7-9H2,(H2,14,18).
What are the key properties of 1-(2-anilinoacetyl)pyrrolidine-2-carboxamide?
1-(2-anilinoacetyl)pyrrolidine-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilinoacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 60860590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).