2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid

C15H27NO3 — CID 107473827

IUPAC2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C15H27NO3/c1-15(2,3)9-12(14(18)19)10-16-13(17)11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyNVKRTLIWISDLKG-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.82
Rot. Bonds5

About 2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid

2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid (PubChem CID 107473827) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid
PubChem CID107473827
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C15H27NO3/c1-15(2,3)9-12(14(18)19)10-16-13(17)11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyNVKRTLIWISDLKG-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473950
4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid
CID 107475538
2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473976
4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid
CID 107474033
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475563
4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid
CID 107475534
2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
N-(2-chloropropyl)cyclopentanecarboxamide
CID 114296250
N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide
CID 114313551
N-(3-amino-2,2-dimethylpropyl)cyclohexanecarboxamide
CID 115365726
4,4-dimethyl-2-[[3-(oxan-2-yl)propanoylamino]methyl]pentanoic acid
CID 107474137

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid (CID 107473827) is 2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid is CC(C)(C)CC(CNC(=O)C1CCCCC1)C(=O)O.
What is the InChIKey of 2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid?
The InChIKey is NVKRTLIWISDLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-15(2,3)9-12(14(18)19)10-16-13(17)11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid?
2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107473827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).