[(1S)-1-phenylethyl] N-(aminomethoxy)carbamate

C10H14N2O3 — CID 139568949

IUPAC[(1S)-1-phenylethyl] N-(aminomethoxy)carbamate
SMILESC[C@H](OC(=O)NOCN)c1ccccc1
InChIInChI=1S/C10H14N2O3/c1-8(9-5-3-2-4-6-9)15-10(13)12-14-7-11/h2-6,8H,7,11H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyQRKRMVCUQUHUFV-QMMMGPOBSA-N
MW210.23 g/mol
LogP1.32
Rot. Bonds4

About [(1S)-1-phenylethyl] N-(aminomethoxy)carbamate

[(1S)-1-phenylethyl] N-(aminomethoxy)carbamate (PubChem CID 139568949) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is [(1S)-1-phenylethyl] N-(aminomethoxy)carbamate.

Molecular Properties

Compound Name[(1S)-1-phenylethyl] N-(aminomethoxy)carbamate
PubChem CID139568949
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name[(1S)-1-phenylethyl] N-(aminomethoxy)carbamate
SMILESC[C@H](OC(=O)NOCN)c1ccccc1
InChIInChI=1S/C10H14N2O3/c1-8(9-5-3-2-4-6-9)15-10(13)12-14-7-11/h2-6,8H,7,11H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyQRKRMVCUQUHUFV-QMMMGPOBSA-N
XLogP1.32
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenylethyl N-carbamoylcarbamate
CID 3027881
1-phenylethyl 3-amino-2-hydroxypropanoate
CID 66164983
[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
[(1S)-1-phenylethyl] N-[(E)-4-aminobut-2-enyl]carbamate
CID 156899526
1-phenylethyl 3-(ethylamino)-2-methylpropanoate
CID 62852098
1-phenylethyl N-prop-2-enylcarbamate
CID 67912904
1-phenylethyl (2S)-2-aminopropanoate
CID 61279668
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
[(1R)-1-phenylethyl] 2-aminobutanoate
CID 175076698
[(1R)-1-phenylethyl] 2-chloroacetate
CID 14113253
[(1S)-1-phenylethyl] 2-methyl-3-oxobutanoate
CID 11746142

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-phenylethyl] N-(aminomethoxy)carbamate?
The IUPAC name of [(1S)-1-phenylethyl] N-(aminomethoxy)carbamate (CID 139568949) is [(1S)-1-phenylethyl] N-(aminomethoxy)carbamate.
What is the SMILES notation for [(1S)-1-phenylethyl] N-(aminomethoxy)carbamate?
The canonical SMILES for [(1S)-1-phenylethyl] N-(aminomethoxy)carbamate is C[C@H](OC(=O)NOCN)c1ccccc1.
What is the InChIKey of [(1S)-1-phenylethyl] N-(aminomethoxy)carbamate?
The InChIKey is QRKRMVCUQUHUFV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-8(9-5-3-2-4-6-9)15-10(13)12-14-7-11/h2-6,8H,7,11H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of [(1S)-1-phenylethyl] N-(aminomethoxy)carbamate?
[(1S)-1-phenylethyl] N-(aminomethoxy)carbamate has a molecular weight of 210.23 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-phenylethyl] N-(aminomethoxy)carbamate is sourced from PubChem (CID 139568949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).