2-[butan-2-yl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid

C17H33NO2 — CID 65057438

IUPAC2-[butan-2-yl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C17H33NO2/c1-6-13(3)18(12-16(19)20)15-10-8-14(9-11-15)17(4,5)7-2/h13-15H,6-12H2,1-5H3,(H,19,20)
InChIKeyKQLHDCMEHORTDX-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.17
Rot. Bonds7

About 2-[butan-2-yl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid

2-[butan-2-yl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid (PubChem CID 65057438) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[butan-2-yl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid
PubChem CID65057438
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-[butan-2-yl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C17H33NO2/c1-6-13(3)18(12-16(19)20)15-10-8-14(9-11-15)17(4,5)7-2/h13-15H,6-12H2,1-5H3,(H,19,20)
InChIKeyKQLHDCMEHORTDX-UHFFFAOYSA-N
XLogP4.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid
CID 65066014
2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65062596
2-[cyclopropyl(5-methylheptan-3-yl)amino]acetic acid
CID 65057817
2-[cyclopentyl(4-methylpentan-2-yl)amino]acetic acid
CID 65058452
2-[cyclopentyl(3-methylpentan-2-yl)amino]acetic acid
CID 65058642
4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 13150786
2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894511
2-[cyclopentyl(2-methylpentan-3-yl)amino]acetic acid
CID 65058785
2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic acid
CID 65058078
2-[butan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 63068777
2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid
CID 65057984
2-[cyclopropyl(heptan-3-yl)amino]acetic acid
CID 65058172

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid (CID 65057438) is 2-[butan-2-yl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid is CCC(C)N(CC(=O)O)C1CCC(C(C)(C)CC)CC1.
What is the InChIKey of 2-[butan-2-yl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid?
The InChIKey is KQLHDCMEHORTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-6-13(3)18(12-16(19)20)15-10-8-14(9-11-15)17(4,5)7-2/h13-15H,6-12H2,1-5H3,(H,19,20).
What are the key properties of 2-[butan-2-yl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid?
2-[butan-2-yl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid has a molecular weight of 283.46 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid is sourced from PubChem (CID 65057438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).