[(1S)-1-phenylethyl] 2-aminoacetate

C10H13NO2 — CID 92978574

IUPAC[(1S)-1-phenylethyl] 2-aminoacetate
SMILESC[C@H](OC(=O)CN)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-8(13-10(12)7-11)9-5-3-2-4-6-9/h2-6,8H,7,11H2,1H3/t8-/m0/s1
InChIKeyCYUJEVOKDUGCSL-QMMMGPOBSA-N
MW179.22 g/mol
LogP1.25
Rot. Bonds3

About [(1S)-1-phenylethyl] 2-aminoacetate

[(1S)-1-phenylethyl] 2-aminoacetate (PubChem CID 92978574) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is [(1S)-1-phenylethyl] 2-aminoacetate.

Molecular Properties

Compound Name[(1S)-1-phenylethyl] 2-aminoacetate
PubChem CID92978574
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name[(1S)-1-phenylethyl] 2-aminoacetate
SMILESC[C@H](OC(=O)CN)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-8(13-10(12)7-11)9-5-3-2-4-6-9/h2-6,8H,7,11H2,1H3/t8-/m0/s1
InChIKeyCYUJEVOKDUGCSL-QMMMGPOBSA-N
XLogP1.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

[(1R)-1-phenylethyl] 2-chloroacetate
CID 14113253
ethanol;1-phenylethyl propanoate
CID 175279617
[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
methane;1-phenylethyl butanoate
CID 175131064
1-phenylethyl 3-amino-2-hydroxypropanoate
CID 66164983
[(1S)-1-phenylethyl] 3-phenylpropanoate
CID 102211488
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
1-phenylethyl 6-amino-4,4-dimethylhexanoate
CID 65285278
1-phenylethyl (2S)-2-aminopropanoate
CID 61279668
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
[(1S)-1-phenylethyl] N-(aminomethoxy)carbamate
CID 139568949
1-phenylethyl butanoate;1-phenylethyl propanoate
CID 174922545

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-phenylethyl] 2-aminoacetate?
The IUPAC name of [(1S)-1-phenylethyl] 2-aminoacetate (CID 92978574) is [(1S)-1-phenylethyl] 2-aminoacetate.
What is the SMILES notation for [(1S)-1-phenylethyl] 2-aminoacetate?
The canonical SMILES for [(1S)-1-phenylethyl] 2-aminoacetate is C[C@H](OC(=O)CN)c1ccccc1.
What is the InChIKey of [(1S)-1-phenylethyl] 2-aminoacetate?
The InChIKey is CYUJEVOKDUGCSL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(13-10(12)7-11)9-5-3-2-4-6-9/h2-6,8H,7,11H2,1H3/t8-/m0/s1.
What are the key properties of [(1S)-1-phenylethyl] 2-aminoacetate?
[(1S)-1-phenylethyl] 2-aminoacetate has a molecular weight of 179.22 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-phenylethyl] 2-aminoacetate is sourced from PubChem (CID 92978574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).