2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid

C13H24N2O3 — CID 79805005

IUPAC2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid
SMILESCCC(C)(N)C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-3-13(2,14)12(18)15-10(11(16)17)9-7-5-4-6-8-9/h9-10H,3-8,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyAXVLLRVYTYSLAU-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.26
Rot. Bonds5

About 2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid

2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid (PubChem CID 79805005) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid
PubChem CID79805005
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid
SMILESCCC(C)(N)C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-3-13(2,14)12(18)15-10(11(16)17)9-7-5-4-6-8-9/h9-10H,3-8,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyAXVLLRVYTYSLAU-UHFFFAOYSA-N
XLogP1.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid
CID 62696214
2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
2-cyclohexyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]acetic acid
CID 79377748
(2R)-2-[(2-amino-2-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103927163
2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid
CID 83017392
cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156707801
2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 79811925
2-amino-N-(cyclopentylmethyl)-2-methylbutanamide
CID 79796793
2-[(2-amino-2-methylbutanoyl)amino]pentanoic acid
CID 79805263
2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid
CID 79805776
2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylacetic acid
CID 62696206
2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid
CID 55108414

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid?
The IUPAC name of 2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid (CID 79805005) is 2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid.
What is the SMILES notation for 2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid?
The canonical SMILES for 2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid is CCC(C)(N)C(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid?
The InChIKey is AXVLLRVYTYSLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-13(2,14)12(18)15-10(11(16)17)9-7-5-4-6-8-9/h9-10H,3-8,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid?
2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid has a molecular weight of 256.35 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid is sourced from PubChem (CID 79805005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).