2-[1-[(2-methylpiperidine-2-carbonyl)amino]cyclobutyl]acetic acid

C13H22N2O3 — CID 113430878

IUPAC2-[1-[(2-methylpiperidine-2-carbonyl)amino]cyclobutyl]acetic acid
SMILESCC1(C(=O)NC2(CC(=O)O)CCC2)CCCCN1
InChIInChI=1S/C13H22N2O3/c1-12(5-2-3-8-14-12)11(18)15-13(6-4-7-13)9-10(16)17/h14H,2-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyRXNPNWRRWDXTEC-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.03
Rot. Bonds4

About 2-[1-[(2-methylpiperidine-2-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(2-methylpiperidine-2-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 113430878) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-[(2-methylpiperidine-2-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpiperidine-2-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID113430878
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-[(2-methylpiperidine-2-carbonyl)amino]cyclobutyl]acetic acid
SMILESCC1(C(=O)NC2(CC(=O)O)CCC2)CCCCN1
InChIInChI=1S/C13H22N2O3/c1-12(5-2-3-8-14-12)11(18)15-13(6-4-7-13)9-10(16)17/h14H,2-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyRXNPNWRRWDXTEC-UHFFFAOYSA-N
XLogP1.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-3-{[(piperidin-2-yl)formamido]methyl}hexanoic acid
CID 65493308
6-Acetamido-3-amino-3-methylhexanoic acid
CID 53262233
(2R)-5,5-dibutyl-6-oxopiperazine-2-carboxylic acid
CID 66617165
5,5-Dibutyl-6-oxopiperazine-2-carboxylic acid
CID 66617166
2-Cyclobutyl-3-methylpiperazine-2-carboxylic acid
CID 141866384
(2S)-5,5-dibutyl-6-oxopiperazine-2-carboxylic acid
CID 142780732
1,2-Dibutyl-6-oxopiperazine-2-carboxylic acid
CID 174750732
2-[[[(2S)-1-amino-1-oxobutan-2-yl]amino]methyl]hexanoic acid
CID 175831314
(3S)-5-Methyl-3-{[(piperidin-2-yl)formamido]methyl}hexanoic acid
CID 9878567
2-[1-[2-(2-Methylbutan-2-ylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899533
2-[1-[1-(Tert-butylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid
CID 54899632
2-[1-[2-(Tert-butylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899723

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpiperidine-2-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-methylpiperidine-2-carbonyl)amino]cyclobutyl]acetic acid (CID 113430878) is 2-[1-[(2-methylpiperidine-2-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methylpiperidine-2-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methylpiperidine-2-carbonyl)amino]cyclobutyl]acetic acid is CC1(C(=O)NC2(CC(=O)O)CCC2)CCCCN1.
What is the InChIKey of 2-[1-[(2-methylpiperidine-2-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is RXNPNWRRWDXTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-12(5-2-3-8-14-12)11(18)15-13(6-4-7-13)9-10(16)17/h14H,2-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[1-[(2-methylpiperidine-2-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(2-methylpiperidine-2-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpiperidine-2-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 113430878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).