(1-amino-2-phenylbutan-2-yl)carbamic acid

C11H16N2O2 — CID 174540690

IUPAC(1-amino-2-phenylbutan-2-yl)carbamic acid
SMILESCCC(CN)(NC(=O)O)c1ccccc1
InChIInChI=1S/C11H16N2O2/c1-2-11(8-12,13-10(14)15)9-6-4-3-5-7-9/h3-7,13H,2,8,12H2,1H3,(H,14,15)
InChIKeyJWQDYLOAGNHRNU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.52
Rot. Bonds4

About (1-amino-2-phenylbutan-2-yl)carbamic acid

(1-amino-2-phenylbutan-2-yl)carbamic acid (PubChem CID 174540690) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (1-amino-2-phenylbutan-2-yl)carbamic acid.

Molecular Properties

Compound Name(1-amino-2-phenylbutan-2-yl)carbamic acid
PubChem CID174540690
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(1-amino-2-phenylbutan-2-yl)carbamic acid
SMILESCCC(CN)(NC(=O)O)c1ccccc1
InChIInChI=1S/C11H16N2O2/c1-2-11(8-12,13-10(14)15)9-6-4-3-5-7-9/h3-7,13H,2,8,12H2,1H3,(H,14,15)
InChIKeyJWQDYLOAGNHRNU-UHFFFAOYSA-N
XLogP1.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (1-amino-2-phenylbutan-2-yl)carbamic 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

1-[(2S)-1-hydroxy-2-phenylbutan-2-yl]-3-phenylurea
CID 95318710
2-phenylpropan-2-ylcarbamic acid
CID 23445609
N-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide
CID 119571116
3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide
CID 119315395
4-amino-4-phenylhexan-3-one
CID 67459117
ethyl 2,3-diamino-2-phenylpropanoate
CID 174452427
N-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide
CID 106250793
4-ethyl-4-phenylhexan-3-one
CID 63083231
N-[(2R)-2-phenylbutan-2-yl]acetamide
CID 101079586
N-ethyl-3-phenylpentan-3-amine;octadecanamide;hydrochloride
CID 174665046
3,3,3-triphenylpropan-1-amine
CID 10125450
N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105060436

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-phenylbutan-2-yl)carbamic acid?
The IUPAC name of (1-amino-2-phenylbutan-2-yl)carbamic acid (CID 174540690) is (1-amino-2-phenylbutan-2-yl)carbamic acid.
What is the SMILES notation for (1-amino-2-phenylbutan-2-yl)carbamic acid?
The canonical SMILES for (1-amino-2-phenylbutan-2-yl)carbamic acid is CCC(CN)(NC(=O)O)c1ccccc1.
What is the InChIKey of (1-amino-2-phenylbutan-2-yl)carbamic acid?
The InChIKey is JWQDYLOAGNHRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-11(8-12,13-10(14)15)9-6-4-3-5-7-9/h3-7,13H,2,8,12H2,1H3,(H,14,15).
What are the key properties of (1-amino-2-phenylbutan-2-yl)carbamic acid?
(1-amino-2-phenylbutan-2-yl)carbamic acid has a molecular weight of 208.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-phenylbutan-2-yl)carbamic acid is sourced from PubChem (CID 174540690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).