2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid

C15H20N2O4 — CID 61200700

IUPAC2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)N2CCCC(CO)C2)cc1
InChIInChI=1S/C15H20N2O4/c18-10-12-2-1-7-17(9-12)15(21)16-13-5-3-11(4-6-13)8-14(19)20/h3-6,12,18H,1-2,7-10H2,(H,16,21)(H,19,20)
InChIKeyDZXNCFZYDDSXKH-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.55
Rot. Bonds4

About 2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid

2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid (PubChem CID 61200700) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid
PubChem CID61200700
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)N2CCCC(CO)C2)cc1
InChIInChI=1S/C15H20N2O4/c18-10-12-2-1-7-17(9-12)15(21)16-13-5-3-11(4-6-13)8-14(19)20/h3-6,12,18H,1-2,7-10H2,(H,16,21)(H,19,20)
InChIKeyDZXNCFZYDDSXKH-UHFFFAOYSA-N
XLogP1.55
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110890423
N-[4-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 43403590
2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 62941390
2-[1-[(4-ethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689955
2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61422145
2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid
CID 63605276
2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61191743
3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 111475189
N-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 111797796
2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345636
1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 3296338

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid (CID 61200700) is 2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)N2CCCC(CO)C2)cc1.
What is the InChIKey of 2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid?
The InChIKey is DZXNCFZYDDSXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-10-12-2-1-7-17(9-12)15(21)16-13-5-3-11(4-6-13)8-14(19)20/h3-6,12,18H,1-2,7-10H2,(H,16,21)(H,19,20).
What are the key properties of 2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid?
2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 61200700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).