2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid

C14H18N2O4 — CID 104913965

IUPAC2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)[C@H]2CCCCN2)cc1
InChIInChI=1S/C14H18N2O4/c17-13(18)9-20-11-6-4-10(5-7-11)16-14(19)12-3-1-2-8-15-12/h4-7,12,15H,1-3,8-9H2,(H,16,19)(H,17,18)/t12-/m1/s1
InChIKeyVJJCZVHNFWHRMS-GFCCVEGCSA-N
MW278.31 g/mol
LogP1.23
Rot. Bonds5

About 2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid

2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid (PubChem CID 104913965) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid
PubChem CID104913965
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)[C@H]2CCCCN2)cc1
InChIInChI=1S/C14H18N2O4/c17-13(18)9-20-11-6-4-10(5-7-11)16-14(19)12-3-1-2-8-15-12/h4-7,12,15H,1-3,8-9H2,(H,16,19)(H,17,18)/t12-/m1/s1
InChIKeyVJJCZVHNFWHRMS-GFCCVEGCSA-N
XLogP1.23
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901157
N-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide
CID 64564189
N-[4-(2-methoxyethoxy)phenyl]piperidine-2-carboxamide
CID 43713427
2-[3-(pyrrolidine-2-carbonylamino)phenoxy]acetic acid
CID 55243432
2-[3-[[(2S)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 55243430
N-[4-(cyanomethoxy)phenyl]azepane-2-carboxamide
CID 64564416
(2R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119698605
(2R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-2-carboxamide
CID 103813549
(2R)-N-(4-phenoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671696
N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 56832268
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-2-carboxamide
CID 110462338
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid (CID 104913965) is 2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)[C@H]2CCCCN2)cc1.
What is the InChIKey of 2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid?
The InChIKey is VJJCZVHNFWHRMS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-13(18)9-20-11-6-4-10(5-7-11)16-14(19)12-3-1-2-8-15-12/h4-7,12,15H,1-3,8-9H2,(H,16,19)(H,17,18)/t12-/m1/s1.
What are the key properties of 2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid?
2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 104913965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).