(2-amino-2-phenylethyl)carbamic acid

C9H12N2O2 — CID 66941802

IUPAC(2-amino-2-phenylethyl)carbamic acid
SMILESNC(CNC(=O)O)c1ccccc1
InChIInChI=1S/C9H12N2O2/c10-8(6-11-9(12)13)7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13)
InChIKeyNYVGGQQAMJBKIB-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.95
Rot. Bonds3

About (2-amino-2-phenylethyl)carbamic acid

(2-amino-2-phenylethyl)carbamic acid (PubChem CID 66941802) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (2-amino-2-phenylethyl)carbamic acid.

Molecular Properties

Compound Name(2-amino-2-phenylethyl)carbamic acid
PubChem CID66941802
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(2-amino-2-phenylethyl)carbamic acid
SMILESNC(CNC(=O)O)c1ccccc1
InChIInChI=1S/C9H12N2O2/c10-8(6-11-9(12)13)7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13)
InChIKeyNYVGGQQAMJBKIB-UHFFFAOYSA-N
XLogP0.95
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2-amino-2-phenylethyl)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

N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride
CID 119529465
benzyl N-(2-amino-2-phenylethyl)carbamate
CID 19016786
(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
CID 122080430
N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
CID 63120465
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide
CID 63120453
N-(2-amino-2-phenylethyl)-3-methylpyridine-2-carboxamide
CID 55176966
[2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate
CID 15675184
N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 63120577
N-(2-amino-2-phenylethyl)-3,4-dimethylpentanamide;hydrochloride
CID 119529641
N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
CID 119529676

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-phenylethyl)carbamic acid?
The IUPAC name of (2-amino-2-phenylethyl)carbamic acid (CID 66941802) is (2-amino-2-phenylethyl)carbamic acid.
What is the SMILES notation for (2-amino-2-phenylethyl)carbamic acid?
The canonical SMILES for (2-amino-2-phenylethyl)carbamic acid is NC(CNC(=O)O)c1ccccc1.
What is the InChIKey of (2-amino-2-phenylethyl)carbamic acid?
The InChIKey is NYVGGQQAMJBKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-8(6-11-9(12)13)7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13).
What are the key properties of (2-amino-2-phenylethyl)carbamic acid?
(2-amino-2-phenylethyl)carbamic acid has a molecular weight of 180.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-phenylethyl)carbamic acid is sourced from PubChem (CID 66941802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).