2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid

C14H26N2O3 — CID 64686097

IUPAC2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid
SMILESCC(C)(N)CCC(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H26N2O3/c1-13(2,15)9-6-11(17)16-14(10-12(18)19)7-4-3-5-8-14/h3-10,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHNFJLPSOLXEGHW-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.80
Rot. Bonds6

About 2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid

2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid (PubChem CID 64686097) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid
PubChem CID64686097
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid
SMILESCC(C)(N)CCC(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H26N2O3/c1-13(2,15)9-6-11(17)16-14(10-12(18)19)7-4-3-5-8-14/h3-10,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHNFJLPSOLXEGHW-UHFFFAOYSA-N
XLogP1.80
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-amino-4-methylpentanoyl)amino]cyclopentyl]acetic acid
CID 64702299
2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid
CID 79848549
2-[1-(3-methylsulfanylpropanoylamino)cyclohexyl]acetic acid
CID 64671361
2-[1-(3-methoxypropanoylamino)cyclohexyl]acetic acid
CID 64672330
2-[1-[[(4-amino-4-methylpentanoyl)amino]methyl]cyclobutyl]acetic acid
CID 81161804
2-[1-[(2-methylsulfanylacetyl)amino]cyclohexyl]acetic acid
CID 64671362
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615
2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid
CID 64702277
2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid
CID 64702109
2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid
CID 64684909
2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid
CID 64671798
2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid
CID 79849178

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid (CID 64686097) is 2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid is CC(C)(N)CCC(=O)NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid?
The InChIKey is HNFJLPSOLXEGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,15)9-6-11(17)16-14(10-12(18)19)7-4-3-5-8-14/h3-10,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid?
2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64686097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).