3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid

C16H22N2O3 — CID 115340504

IUPAC3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid
SMILESCC1CCCCN1C(=O)Nc1cccc(CCC(=O)O)c1
InChIInChI=1S/C16H22N2O3/c1-12-5-2-3-10-18(12)16(21)17-14-7-4-6-13(11-14)8-9-15(19)20/h4,6-7,11-12H,2-3,5,8-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyYPBFZDMKGBCAOK-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.11
Rot. Bonds4

About 3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid

3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid (PubChem CID 115340504) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid
PubChem CID115340504
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid
SMILESCC1CCCCN1C(=O)Nc1cccc(CCC(=O)O)c1
InChIInChI=1S/C16H22N2O3/c1-12-5-2-3-10-18(12)16(21)17-14-7-4-6-13(11-14)8-9-15(19)20/h4,6-7,11-12H,2-3,5,8-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyYPBFZDMKGBCAOK-UHFFFAOYSA-N
XLogP3.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345932
3-[3-(azepane-1-carbonylamino)phenyl]propanoic acid
CID 115339440
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid
CID 61186973
2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61189756
2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65350132
3-[3-[(1-benzylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 120613936
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide
CID 61339628
3-[3-[(2-cyclopentyl-2-methylpropanoyl)amino]phenyl]propanoic acid
CID 120538121
2-methyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 23823514
2-methyl-N-(4-phenylmethoxyphenyl)piperidine-1-carboxamide
CID 3853600
3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62216964
3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid
CID 115340755

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid (CID 115340504) is 3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid is CC1CCCCN1C(=O)Nc1cccc(CCC(=O)O)c1.
What is the InChIKey of 3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is YPBFZDMKGBCAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-5-2-3-10-18(12)16(21)17-14-7-4-6-13(11-14)8-9-15(19)20/h4,6-7,11-12H,2-3,5,8-10H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid?
3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 115340504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).