[(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid

C11H16N2O2 — CID 150832768

IUPAC[(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid
SMILESCN(C[C@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-13(11(14)15)8-10(12)7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyKMHZQJVJWBEYHY-SNVBAGLBSA-N
MW208.26 g/mol
LogP1.17
Rot. Bonds4

About [(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid

[(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid (PubChem CID 150832768) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is [(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid.

Molecular Properties

Compound Name[(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid
PubChem CID150832768
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name[(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid
SMILESCN(C[C@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-13(11(14)15)8-10(12)7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyKMHZQJVJWBEYHY-SNVBAGLBSA-N
XLogP1.17
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,N-dimethyl-4-phenylbutanamide
CID 70115085
(2-amino-2-oxoethyl)-(2-amino-3-phenylpropyl)carbamic acid
CID 139450675
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
[(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate
CID 118351614
5-amino-6-phenylhexan-2-one
CID 90094782
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
1-N-[1-(4-chlorophenyl)ethyl]-1-N-methyl-3-phenylpropane-1,2-diamine
CID 62978006
[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid
CID 68714572
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119266895

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid?
The IUPAC name of [(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid (CID 150832768) is [(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid.
What is the SMILES notation for [(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid?
The canonical SMILES for [(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid is CN(C[C@H](N)Cc1ccccc1)C(=O)O.
What is the InChIKey of [(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid?
The InChIKey is KMHZQJVJWBEYHY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13(11(14)15)8-10(12)7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of [(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid?
[(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid has a molecular weight of 208.26 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid is sourced from PubChem (CID 150832768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).