2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid

C14H25NO3 — CID 60828230

IUPAC2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CC1CCCCC1
InChIInChI=1S/C14H25NO3/c1-3-11(2)15(10-14(17)18)13(16)9-12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,17,18)
InChIKeyCDLONPSJTNFNBM-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.67
Rot. Bonds6

About 2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid

2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid (PubChem CID 60828230) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid
PubChem CID60828230
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CC1CCCCC1
InChIInChI=1S/C14H25NO3/c1-3-11(2)15(10-14(17)18)13(16)9-12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,17,18)
InChIKeyCDLONPSJTNFNBM-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid
CID 60831184
2-[butan-2-yl(3-cyclopentylpropanoyl)amino]acetic acid
CID 60828220
2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid
CID 103925577
2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid
CID 61198780
2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid
CID 60828429
3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid
CID 82326124
N-(2-chloroethyl)-2-cycloheptyl-N-pentan-3-ylacetamide
CID 114459017
methyl 2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetate
CID 54945823
2-[butan-2-yl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid
CID 119954564
2-[(2-cyclohexylacetyl)-cyclopentylamino]acetic acid
CID 60826296
2-[[2-(3-methylcyclopentyl)acetyl]-propan-2-ylamino]acetic acid
CID 120580887
2-[butan-2-yl(3-piperidin-4-ylpropanoyl)amino]acetic acid
CID 62210937

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid (CID 60828230) is 2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)CC1CCCCC1.
What is the InChIKey of 2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid?
The InChIKey is CDLONPSJTNFNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-11(2)15(10-14(17)18)13(16)9-12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid?
2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid has a molecular weight of 255.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid is sourced from PubChem (CID 60828230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).