[(2R)-2-amino-3-(4-ethoxyphenyl)propyl] N-methylcarbamate

C13H20N2O3 — CID 118340480

IUPAC[(2R)-2-amino-3-(4-ethoxyphenyl)propyl] N-methylcarbamate
SMILESCCOc1ccc(C[C@@H](N)COC(=O)NC)cc1
InChIInChI=1S/C13H20N2O3/c1-3-17-12-6-4-10(5-7-12)8-11(14)9-18-13(16)15-2/h4-7,11H,3,8-9,14H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyIRNUYEDYXQFZOS-LLVKDONJSA-N
MW252.31 g/mol
LogP1.31
Rot. Bonds6

About [(2R)-2-amino-3-(4-ethoxyphenyl)propyl] N-methylcarbamate

[(2R)-2-amino-3-(4-ethoxyphenyl)propyl] N-methylcarbamate (PubChem CID 118340480) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is [(2R)-2-amino-3-(4-ethoxyphenyl)propyl] N-methylcarbamate.

Molecular Properties

Compound Name[(2R)-2-amino-3-(4-ethoxyphenyl)propyl] N-methylcarbamate
PubChem CID118340480
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name[(2R)-2-amino-3-(4-ethoxyphenyl)propyl] N-methylcarbamate
SMILESCCOc1ccc(C[C@@H](N)COC(=O)NC)cc1
InChIInChI=1S/C13H20N2O3/c1-3-17-12-6-4-10(5-7-12)8-11(14)9-18-13(16)15-2/h4-7,11H,3,8-9,14H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyIRNUYEDYXQFZOS-LLVKDONJSA-N
XLogP1.31
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)butan-2-amine
CID 43566029
1-[4-(4-ethoxyphenoxy)phenyl]butan-2-amine
CID 63816977
2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116849927
(2S)-3-(4-ethoxyphenyl)-2-(propan-2-ylamino)propanoic acid
CID 138647481
2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide
CID 120985316
(2S)-2-(aminomethyl)-3-(4-ethoxyphenyl)propanamide
CID 29061664
2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide
CID 54930931
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
2-chloro-1-(4-ethoxyphenyl)-4,4-dimethylpentan-3-one
CID 82184966
(2S)-2-amino-3-[(4-ethoxyphenyl)carbamoyloxy]propanoic acid
CID 121008998
benzyl 2-amino-3-(4-ethoxyphenyl)propanoate
CID 19804808
2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide
CID 61485616

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-3-(4-ethoxyphenyl)propyl] N-methylcarbamate?
The IUPAC name of [(2R)-2-amino-3-(4-ethoxyphenyl)propyl] N-methylcarbamate (CID 118340480) is [(2R)-2-amino-3-(4-ethoxyphenyl)propyl] N-methylcarbamate.
What is the SMILES notation for [(2R)-2-amino-3-(4-ethoxyphenyl)propyl] N-methylcarbamate?
The canonical SMILES for [(2R)-2-amino-3-(4-ethoxyphenyl)propyl] N-methylcarbamate is CCOc1ccc(C[C@@H](N)COC(=O)NC)cc1.
What is the InChIKey of [(2R)-2-amino-3-(4-ethoxyphenyl)propyl] N-methylcarbamate?
The InChIKey is IRNUYEDYXQFZOS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-17-12-6-4-10(5-7-12)8-11(14)9-18-13(16)15-2/h4-7,11H,3,8-9,14H2,1-2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of [(2R)-2-amino-3-(4-ethoxyphenyl)propyl] N-methylcarbamate?
[(2R)-2-amino-3-(4-ethoxyphenyl)propyl] N-methylcarbamate has a molecular weight of 252.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-3-(4-ethoxyphenyl)propyl] N-methylcarbamate is sourced from PubChem (CID 118340480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).