2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

C14H28N2O4 — CID 123216246

IUPAC2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCC(C)(CC(C)(C)C(N)C(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O4/c1-12(2,3)20-11(19)16-14(6,7)8-13(4,5)9(15)10(17)18/h9H,8,15H2,1-7H3,(H,16,19)(H,17,18)
InChIKeyFUWFPBWFDOFHRA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.12
Rot. Bonds5

About 2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (PubChem CID 123216246) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.

Molecular Properties

Compound Name2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
PubChem CID123216246
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCC(C)(CC(C)(C)C(N)C(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O4/c1-12(2,3)20-11(19)16-14(6,7)8-13(4,5)9(15)10(17)18/h9H,8,15H2,1-7H3,(H,16,19)(H,17,18)
InChIKeyFUWFPBWFDOFHRA-UHFFFAOYSA-N
XLogP2.12
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
CID 45072479
(2S)-2-amino-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylarsanyl]butanoic acid
CID 173000257
3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 165482152
methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
CID 88863473
[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate
CID 71907535
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
2-amino-3,3,5,5-tetramethyl-6-sulfanylhexanoic acid
CID 88863412
tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate
CID 11788901
(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10899749
(2S)-3,3-diamino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 154966120
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
2-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 123923591

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The IUPAC name of 2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (CID 123216246) is 2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.
What is the SMILES notation for 2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The canonical SMILES for 2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is CC(C)(CC(C)(C)C(N)C(=O)O)NC(=O)OC(C)(C)C.
What is the InChIKey of 2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The InChIKey is FUWFPBWFDOFHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-12(2,3)20-11(19)16-14(6,7)8-13(4,5)9(15)10(17)18/h9H,8,15H2,1-7H3,(H,16,19)(H,17,18).
What are the key properties of 2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid has a molecular weight of 288.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is sourced from PubChem (CID 123216246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).