(2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid

C14H18N2O4 — CID 115413469

IUPAC(2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid
SMILESCOc1ccc(N)c(C(=O)N2CCCC[C@H]2C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-20-9-5-6-11(15)10(8-9)13(17)16-7-3-2-4-12(16)14(18)19/h5-6,8,12H,2-4,7,15H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyGSNKQUZOUKXYED-LBPRGKRZSA-N
MW278.31 g/mol
LogP1.36
Rot. Bonds3

About (2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid

(2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid (PubChem CID 115413469) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid
PubChem CID115413469
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid
SMILESCOc1ccc(N)c(C(=O)N2CCCC[C@H]2C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-20-9-5-6-11(15)10(8-9)13(17)16-7-3-2-4-12(16)14(18)19/h5-6,8,12H,2-4,7,15H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyGSNKQUZOUKXYED-LBPRGKRZSA-N
XLogP1.36
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
CID 61106425
1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 119175727
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-5-methoxyphenyl)methanone
CID 65321801
(2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62124769
(2-amino-5-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55138072
(2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid
CID 78923013
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
1-(2-amino-4-bromobenzoyl)pyrrolidine-2-carboxylic acid
CID 79723645
1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid
CID 24689574
4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide
CID 83099504
5-(2-amino-5-methoxybenzoyl)-2-(cyclohexanecarbonyl)-3,4-dihydropyrazole-3-carboxylic acid
CID 11176244
(2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid
CID 103871055

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid (CID 115413469) is (2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid is COc1ccc(N)c(C(=O)N2CCCC[C@H]2C(=O)O)c1.
What is the InChIKey of (2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid?
The InChIKey is GSNKQUZOUKXYED-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-9-5-6-11(15)10(8-9)13(17)16-7-3-2-4-12(16)14(18)19/h5-6,8,12H,2-4,7,15H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid?
(2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 115413469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).