2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid

C13H22N2O3 — CID 81161187

IUPAC2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)[C@H]2CCCNC2)CCC1
InChIInChI=1S/C13H22N2O3/c16-11(17)7-13(4-2-5-13)9-15-12(18)10-3-1-6-14-8-10/h10,14H,1-9H2,(H,15,18)(H,16,17)/t10-/m0/s1
InChIKeyPGOXBSHEXSFODF-JTQLQIEISA-N
MW254.33 g/mol
LogP0.75
Rot. Bonds5

About 2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid

2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid (PubChem CID 81161187) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
PubChem CID81161187
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)[C@H]2CCCNC2)CCC1
InChIInChI=1S/C13H22N2O3/c16-11(17)7-13(4-2-5-13)9-15-12(18)10-3-1-6-14-8-10/h10,14H,1-9H2,(H,15,18)(H,16,17)/t10-/m0/s1
InChIKeyPGOXBSHEXSFODF-JTQLQIEISA-N
XLogP0.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylcyclopentyl)methyl]piperidine-3-carboxamide
CID 103797871
2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164623
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488
1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 113311227
(3R)-N-[(1-hydroxycyclobutyl)methyl]piperidine-3-carboxamide
CID 104874196
(3R)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]piperidine-3-carboxamide
CID 104969411
N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide
CID 112701948
2-[1-[[(3S)-piperidine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 81133872
N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 119339952
N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119782174
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]piperidine-3-carboxamide
CID 119896432
(3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide
CID 81133718

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid (CID 81161187) is 2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)[C@H]2CCCNC2)CCC1.
What is the InChIKey of 2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The InChIKey is PGOXBSHEXSFODF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N2O3/c16-11(17)7-13(4-2-5-13)9-15-12(18)10-3-1-6-14-8-10/h10,14H,1-9H2,(H,15,18)(H,16,17)/t10-/m0/s1.
What are the key properties of 2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid?
2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81161187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).