2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid

C15H20N2O3 — CID 81317773

IUPAC2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H20N2O3/c18-14(19)8-11-4-1-2-5-12(11)10-17-15(20)13-6-3-7-16-9-13/h1-2,4-5,13,16H,3,6-10H2,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyXJYRLFBYADVGJX-CYBMUJFWSA-N
MW276.34 g/mol
LogP0.93
Rot. Bonds5

About 2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid

2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid (PubChem CID 81317773) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
PubChem CID81317773
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H20N2O3/c18-14(19)8-11-4-1-2-5-12(11)10-17-15(20)13-6-3-7-16-9-13/h1-2,4-5,13,16H,3,6-10H2,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyXJYRLFBYADVGJX-CYBMUJFWSA-N
XLogP0.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 124591380
(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
CID 81141738
N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119279719
N-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide
CID 119301276
N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770651
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119848767
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005428
(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81124657
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid (CID 81317773) is 2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1CNC(=O)[C@@H]1CCCNC1.
What is the InChIKey of 2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid?
The InChIKey is XJYRLFBYADVGJX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(19)8-11-4-1-2-5-12(11)10-17-15(20)13-6-3-7-16-9-13/h1-2,4-5,13,16H,3,6-10H2,(H,17,20)(H,18,19)/t13-/m1/s1.
What are the key properties of 2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid?
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 81317773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).