1-[(2-amino-3-methoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid

C15H20N2O4 — CID 69177483

IUPAC1-[(2-amino-3-methoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOC(=O)c1cccc(CN2CCCCC2C(=O)O)c1N
InChIInChI=1S/C15H20N2O4/c1-21-15(20)11-6-4-5-10(13(11)16)9-17-8-3-2-7-12(17)14(18)19/h4-6,12H,2-3,7-9,16H2,1H3,(H,18,19)
InChIKeyNLUXGWXRMHAMCT-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.49
Rot. Bonds4

About 1-[(2-amino-3-methoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid

1-[(2-amino-3-methoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 69177483) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[(2-amino-3-methoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-amino-3-methoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID69177483
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[(2-amino-3-methoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOC(=O)c1cccc(CN2CCCCC2C(=O)O)c1N
InChIInChI=1S/C15H20N2O4/c1-21-15(20)11-6-4-5-10(13(11)16)9-17-8-3-2-7-12(17)14(18)19/h4-6,12H,2-3,7-9,16H2,1H3,(H,18,19)
InChIKeyNLUXGWXRMHAMCT-UHFFFAOYSA-N
XLogP1.49
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(2-amino-3-methoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid
CID 5212584
1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43659073
1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 3567372
1-[(2,4-dimethylphenyl)methyl]azepane-2-carboxylic acid
CID 65069954
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
methyl 2-[(2-ethylpyrrolidin-1-yl)methyl]benzoate
CID 82969492
2-amino-3-methoxycarbonylbenzoic acid
CID 2794812
1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056433
methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462737
1-[(2-methyl-3-nitrophenyl)methyl]azepane-2-carboxylic acid
CID 64563174
(2S)-1-[[2-methoxy-4-(2-methyl-3-phenylbenzoyl)oxyphenyl]methyl]piperidine-2-carboxylic acid
CID 177373868
methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate
CID 113219671

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-3-methoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-amino-3-methoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid (CID 69177483) is 1-[(2-amino-3-methoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-amino-3-methoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-amino-3-methoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid is COC(=O)c1cccc(CN2CCCCC2C(=O)O)c1N.
What is the InChIKey of 1-[(2-amino-3-methoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is NLUXGWXRMHAMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-15(20)11-6-4-5-10(13(11)16)9-17-8-3-2-7-12(17)14(18)19/h4-6,12H,2-3,7-9,16H2,1H3,(H,18,19).
What are the key properties of 1-[(2-amino-3-methoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid?
1-[(2-amino-3-methoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-3-methoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 69177483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).