(2-amino-1-phenylethyl)carbamic acid

C9H12N2O2 — CID 66600321

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

About (2-amino-1-phenylethyl)carbamic acid

(2-amino-1-phenylethyl)carbamic acid (PubChem CID 66600321) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (2-amino-1-phenylethyl)carbamic acid.

Molecular Properties

Compound Name(2-amino-1-phenylethyl)carbamic acid
PubChem CID66600321
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(2-amino-1-phenylethyl)carbamic acid
SMILESNCC(NC(=O)O)c1ccccc1
InChIInChI=1S/C9H12N2O2/c10-6-8(11-9(12)13)7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13)
InChIKeyPWHLQYUSIDYCBF-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

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Related Compounds

(4-amino-1-phenylbutyl)carbamic acid
CID 121416370
(5-amino-1-phenylpentyl)carbamic acid
CID 121416369
[(1R)-2-bromo-1-phenylethyl]carbamic acid
CID 146309654
N-(2-amino-1-phenylethyl)-2-hydroxybenzamide
CID 55242924
[(1S)-2-amino-1-phenylethyl]thiourea
CID 158438766
benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 11011061
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate
CID 44607655
1-(2-amino-1-phenylethyl)-3-tert-butylurea
CID 63767118
N-(2-amino-1-phenylethyl)-2-methoxy-2-phenylacetamide
CID 63755766
N-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide
CID 114823481
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
N-(2-amino-1-phenylethyl)-2-ethoxyacetamide
CID 63755765

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-phenylethyl)carbamic acid?
The IUPAC name of (2-amino-1-phenylethyl)carbamic acid (CID 66600321) is (2-amino-1-phenylethyl)carbamic acid.
What is the SMILES notation for (2-amino-1-phenylethyl)carbamic acid?
The canonical SMILES for (2-amino-1-phenylethyl)carbamic acid is NCC(NC(=O)O)c1ccccc1.
What is the InChIKey of (2-amino-1-phenylethyl)carbamic acid?
The InChIKey is PWHLQYUSIDYCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-6-8(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-1-phenylethyl)carbamic acid?
(2-amino-1-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-1-phenylethyl)carbamic acid is sourced from PubChem (CID 66600321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).