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

C16H28N2O3 — CID 104596692

IUPAC2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid
SMILESCC1(C(=O)NCC2(CC(=O)O)CCCCC2)CCCCN1
InChIInChI=1S/C16H28N2O3/c1-15(7-5-6-10-18-15)14(21)17-12-16(11-13(19)20)8-3-2-4-9-16/h18H,2-12H2,1H3,(H,17,21)(H,19,20)
InChIKeyYGDPSKHSZYZYMI-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.06
Rot. Bonds5

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

2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid (PubChem CID 104596692) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid
PubChem CID104596692
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid
SMILESCC1(C(=O)NCC2(CC(=O)O)CCCCC2)CCCCN1
InChIInChI=1S/C16H28N2O3/c1-15(7-5-6-10-18-15)14(21)17-12-16(11-13(19)20)8-3-2-4-9-16/h18H,2-12H2,1H3,(H,17,21)(H,19,20)
InChIKeyYGDPSKHSZYZYMI-UHFFFAOYSA-N
XLogP2.06
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 104597132
N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 65106651
2-[1-[(2-methylpiperidine-2-carbonyl)amino]cyclobutyl]acetic acid
CID 113430878
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide
CID 104596903
4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 104596542
2-[1-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64702309
6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 104596546
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-2-carboxamide
CID 106101397
3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 103156961
N-(2,3-dihydroxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596953
2-[1-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81161716
2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid
CID 64686653

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid (CID 104596692) is 2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid is CC1(C(=O)NCC2(CC(=O)O)CCCCC2)CCCCN1.
What is the InChIKey of 2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The InChIKey is YGDPSKHSZYZYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(7-5-6-10-18-15)14(21)17-12-16(11-13(19)20)8-3-2-4-9-16/h18H,2-12H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid?
2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 2.06, 5 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]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 104596692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).