2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid

C14H18N2O3 — CID 63141819

IUPAC2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid
SMILESCC1(C(=O)N(CC(=O)O)c2ccccc2)CCNC1
InChIInChI=1S/C14H18N2O3/c1-14(7-8-15-10-14)13(19)16(9-12(17)18)11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3,(H,17,18)
InChIKeyBWFGVQNMRFWSCB-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.10
Rot. Bonds4

About 2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid

2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid (PubChem CID 63141819) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid
PubChem CID63141819
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid
SMILESCC1(C(=O)N(CC(=O)O)c2ccccc2)CCNC1
InChIInChI=1S/C14H18N2O3/c1-14(7-8-15-10-14)13(19)16(9-12(17)18)11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3,(H,17,18)
InChIKeyBWFGVQNMRFWSCB-UHFFFAOYSA-N
XLogP1.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63142548
2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63141423
3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide
CID 63140580
N,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119706051
2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid
CID 106826093
N-(2-anilino-2-oxoethyl)-N,3-dimethylpiperidine-3-carboxamide
CID 63131670
N-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide
CID 63138343
(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119826732
N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63138507
N-(cyanomethyl)-2-(2,2-dimethylpiperazin-1-yl)-N-phenylacetamide
CID 65461386
N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide
CID 63130370
N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63143386

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid (CID 63141819) is 2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid is CC1(C(=O)N(CC(=O)O)c2ccccc2)CCNC1.
What is the InChIKey of 2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid?
The InChIKey is BWFGVQNMRFWSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(7-8-15-10-14)13(19)16(9-12(17)18)11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3,(H,17,18).
What are the key properties of 2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid?
2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid is sourced from PubChem (CID 63141819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).