[(1S)-2-amino-1-phenylpropyl] formate

C10H13NO2 — CID 118541108

IUPAC[(1S)-2-amino-1-phenylpropyl] formate
SMILESCC(N)[C@@H](OC=O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-8(11)10(13-7-12)9-5-3-2-4-6-9/h2-8,10H,11H2,1H3/t8?,10-/m1/s1
InChIKeyUJMMMZBFBCGJMX-LHIURRSHSA-N
MW179.22 g/mol
LogP1.25
Rot. Bonds4

About [(1S)-2-amino-1-phenylpropyl] formate

[(1S)-2-amino-1-phenylpropyl] formate (PubChem CID 118541108) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is [(1S)-2-amino-1-phenylpropyl] formate.

Molecular Properties

Compound Name[(1S)-2-amino-1-phenylpropyl] formate
PubChem CID118541108
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name[(1S)-2-amino-1-phenylpropyl] formate
SMILESCC(N)[C@@H](OC=O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-8(11)10(13-7-12)9-5-3-2-4-6-9/h2-8,10H,11H2,1H3/t8?,10-/m1/s1
InChIKeyUJMMMZBFBCGJMX-LHIURRSHSA-N
XLogP1.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

O-(2-amino-1-phenylpropyl)hydroxylamine
CID 54305698
[(1R)-1-phenylethyl] formate
CID 76963066
[(1S,2R)-2-amino-1-phenylpropyl] benzoate
CID 99718446
methyl (2S,3S)-2-bromo-3-formyloxy-3-phenylpropanoate
CID 138982221
1-benzhydrylsilylethyl formate
CID 123160635
(2-ethyl-1-phenylheptyl) formate
CID 174539302
ethane;formamide;1-phenylethanamine
CID 154651145
(1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid
CID 118541105
(2-ethyl-1-phenyldecyl) formate
CID 174631629
[(1R,2R)-2-chloro-3-(N-methylanilino)-3-oxo-1-phenylpropyl] formate
CID 102226257
2-methyl-3-phenylbutanal
CID 3024886
1-cyclohexyloxy-1-phenylpropan-2-amine
CID 55017556

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-amino-1-phenylpropyl] formate?
The IUPAC name of [(1S)-2-amino-1-phenylpropyl] formate (CID 118541108) is [(1S)-2-amino-1-phenylpropyl] formate.
What is the SMILES notation for [(1S)-2-amino-1-phenylpropyl] formate?
The canonical SMILES for [(1S)-2-amino-1-phenylpropyl] formate is CC(N)[C@@H](OC=O)c1ccccc1.
What is the InChIKey of [(1S)-2-amino-1-phenylpropyl] formate?
The InChIKey is UJMMMZBFBCGJMX-LHIURRSHSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(11)10(13-7-12)9-5-3-2-4-6-9/h2-8,10H,11H2,1H3/t8?,10-/m1/s1.
What are the key properties of [(1S)-2-amino-1-phenylpropyl] formate?
[(1S)-2-amino-1-phenylpropyl] formate has a molecular weight of 179.22 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-amino-1-phenylpropyl] formate is sourced from PubChem (CID 118541108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).