5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid

C14H18N2O4 — CID 104914464

IUPAC5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
SMILESCOc1ccc(NC(=O)[C@@H]2CCCCN2)c(C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-20-9-5-6-11(10(8-9)14(18)19)16-13(17)12-4-2-3-7-15-12/h5-6,8,12,15H,2-4,7H2,1H3,(H,16,17)(H,18,19)/t12-/m0/s1
InChIKeyANNQBDSSKMRKQP-LBPRGKRZSA-N
MW278.31 g/mol
LogP1.47
Rot. Bonds4

About 5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid

5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid (PubChem CID 104914464) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
PubChem CID104914464
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
SMILESCOc1ccc(NC(=O)[C@@H]2CCCCN2)c(C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-20-9-5-6-11(10(8-9)14(18)19)16-13(17)12-4-2-3-7-15-12/h5-6,8,12,15H,2-4,7H2,1H3,(H,16,17)(H,18,19)/t12-/m0/s1
InChIKeyANNQBDSSKMRKQP-LBPRGKRZSA-N
XLogP1.47
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914466
2-(azepane-2-carbonylamino)-4-methoxybenzoic acid
CID 115411626
4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid
CID 103871126
(2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 102695287
5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 114424357
(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 92930229
N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281659
N-(2-fluoro-5-methoxyphenyl)piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 167828177
(2R)-N-(2-fluoro-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 113264214
5-chloro-2-(pyrrolidine-2-carbonylamino)benzoic acid
CID 61157828
4,5-difluoro-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913876
N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 56832268

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid?
The IUPAC name of 5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid (CID 104914464) is 5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid is COc1ccc(NC(=O)[C@@H]2CCCCN2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid?
The InChIKey is ANNQBDSSKMRKQP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-9-5-6-11(10(8-9)14(18)19)16-13(17)12-4-2-3-7-15-12/h5-6,8,12,15H,2-4,7H2,1H3,(H,16,17)(H,18,19)/t12-/m0/s1.
What are the key properties of 5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid?
5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 104914464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).