1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid

C14H18N2O3 — CID 18623712

IUPAC1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(Nc1ccccc1)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-10(15-11-6-3-2-4-7-11)13(17)16-9-5-8-12(16)14(18)19/h2-4,6-7,10,12,15H,5,8-9H2,1H3,(H,18,19)
InChIKeyHPUARZLQERXGBD-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.56
Rot. Bonds4

About 1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid

1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 18623712) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID18623712
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(Nc1ccccc1)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-10(15-11-6-3-2-4-7-11)13(17)16-9-5-8-12(16)14(18)19/h2-4,6-7,10,12,15H,5,8-9H2,1H3,(H,18,19)
InChIKeyHPUARZLQERXGBD-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid
CID 78920023
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
(2S)-1-[(2S)-2-(3-phenylpropanoylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 54268836
(2R)-1-[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 86308236
(2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 67395242
1-[2-[[hydroxy(2-phenylethyl)phosphoryl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 14212863
1-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 80552235
(2S)-1-[(2S)-2-benzamido-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 126678475
(2S)-1-(2-benzamido-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 135315648
(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 22809937
(2S)-1-[(2S)-3-methyl-2-(pyridin-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid
CID 70302822
1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid
CID 58641902

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid (CID 18623712) is 1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid is CC(Nc1ccccc1)C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HPUARZLQERXGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(15-11-6-3-2-4-7-11)13(17)16-9-5-8-12(16)14(18)19/h2-4,6-7,10,12,15H,5,8-9H2,1H3,(H,18,19).
What are the key properties of 1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid?
1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 18623712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).