1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid

C16H22N2O3 — CID 107273461

IUPAC1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)CCc2ccccc2N)C1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-11-5-4-10-18(15(11)16(20)21)14(19)9-8-12-6-2-3-7-13(12)17/h2-3,6-7,11,15H,4-5,8-10,17H2,1H3,(H,20,21)
InChIKeyGEZZICRKUUGNHN-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.91
Rot. Bonds4

About 1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid

1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107273461) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107273461
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)CCc2ccccc2N)C1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-11-5-4-10-18(15(11)16(20)21)14(19)9-8-12-6-2-3-7-13(12)17/h2-3,6-7,11,15H,4-5,8-10,17H2,1H3,(H,20,21)
InChIKeyGEZZICRKUUGNHN-UHFFFAOYSA-N
XLogP1.91
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one
CID 54885747
1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 107273458
1-[3-(2-aminophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 120609404
3-(2-aminophenyl)-1-(2-phenylazepan-1-yl)propan-1-one
CID 120609446
1-[2-(2-aminoethyl)benzoyl]-3-methylpiperidine-2-carboxylic acid
CID 107068810
3-(2-aminophenyl)-1-(4-methylazepan-1-yl)propan-1-one
CID 63625999
3-(2-aminophenyl)-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 120612623
3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 66624873
1-[2-(2-chlorophenoxy)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069152
3-(2-aminophenyl)-1-[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 120610436
1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069695
(2R,3R)-2-methyl-1-[3-(2-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122115329

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid (CID 107273461) is 1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid is CC1CCCN(C(=O)CCc2ccccc2N)C1C(=O)O.
What is the InChIKey of 1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is GEZZICRKUUGNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-5-4-10-18(15(11)16(20)21)14(19)9-8-12-6-2-3-7-13(12)17/h2-3,6-7,11,15H,4-5,8-10,17H2,1H3,(H,20,21).
What are the key properties of 1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid?
1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107273461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).