2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid

C14H18N2O4 — CID 65345639

IUPAC2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C14H18N2O4/c17-12-5-2-6-16(9-12)14(20)15-11-4-1-3-10(7-11)8-13(18)19/h1,3-4,7,12,17H,2,5-6,8-9H2,(H,15,20)(H,18,19)
InChIKeyZSOPJYORKXWGMW-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.30
Rot. Bonds3

About 2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid

2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid (PubChem CID 65345639) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid
PubChem CID65345639
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C14H18N2O4/c17-12-5-2-6-16(9-12)14(20)15-11-4-1-3-10(7-11)8-13(18)19/h1,3-4,7,12,17H,2,5-6,8-9H2,(H,15,20)(H,18,19)
InChIKeyZSOPJYORKXWGMW-UHFFFAOYSA-N
XLogP1.30
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345636
2-[3-[(4-methylazepane-1-carbonyl)amino]phenyl]acetic acid
CID 65350325
3-hydroxy-N-[3-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 51080395
2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345847
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
3-hydroxy-N-[3-(2-phenylethoxy)phenyl]piperidine-1-carboxamide
CID 110896856
(3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide
CID 111431591
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-hydroxypiperidine-1-carboxamide
CID 51118897
2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 62941390
(3S)-N-[3-(cyclopentylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 111475040
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345932

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid (CID 65345639) is 2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)N2CCCC(O)C2)c1.
What is the InChIKey of 2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid?
The InChIKey is ZSOPJYORKXWGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-12-5-2-6-16(9-12)14(20)15-11-4-1-3-10(7-11)8-13(18)19/h1,3-4,7,12,17H,2,5-6,8-9H2,(H,15,20)(H,18,19).
What are the key properties of 2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid?
2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 65345639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).