2-amino-3-phenylmethoxycarbonyloxypropanoic acid

C11H13NO5 — CID 67008928

IUPAC2-amino-3-phenylmethoxycarbonyloxypropanoic acid
SMILESNC(COC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO5/c12-9(10(13)14)7-17-11(15)16-6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)
InChIKeyZZPHNSNOTCWKCL-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.75
Rot. Bonds5

About 2-amino-3-phenylmethoxycarbonyloxypropanoic acid

2-amino-3-phenylmethoxycarbonyloxypropanoic acid (PubChem CID 67008928) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-amino-3-phenylmethoxycarbonyloxypropanoic acid.

Molecular Properties

Compound Name2-amino-3-phenylmethoxycarbonyloxypropanoic acid
PubChem CID67008928
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-amino-3-phenylmethoxycarbonyloxypropanoic acid
SMILESNC(COC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO5/c12-9(10(13)14)7-17-11(15)16-6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)
InChIKeyZZPHNSNOTCWKCL-UHFFFAOYSA-N
XLogP0.75
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
CID 57323834
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
(2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate
CID 67874309
(6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid
CID 70487944
benzyl 1-phenylmethoxycarbonyloxybut-3-en-2-yl carbonate
CID 22891815
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
(2R)-2-amino-3-phenylmethoxycarbonylsulfanylpropanoic acid;hydrochloride
CID 46735194
benzyl 2,3-diaminopropanoate
CID 19891176
benzyl 2-hydroxyethyl carbonate
CID 139815197
benzyl 2-amino-3-aminooxypropanoate;hydrochloride
CID 134125396
(2R)-2-amino-4-phenylmethoxybutanoic acid
CID 51340689

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenylmethoxycarbonyloxypropanoic acid?
The IUPAC name of 2-amino-3-phenylmethoxycarbonyloxypropanoic acid (CID 67008928) is 2-amino-3-phenylmethoxycarbonyloxypropanoic acid.
What is the SMILES notation for 2-amino-3-phenylmethoxycarbonyloxypropanoic acid?
The canonical SMILES for 2-amino-3-phenylmethoxycarbonyloxypropanoic acid is NC(COC(=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-3-phenylmethoxycarbonyloxypropanoic acid?
The InChIKey is ZZPHNSNOTCWKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c12-9(10(13)14)7-17-11(15)16-6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14).
What are the key properties of 2-amino-3-phenylmethoxycarbonyloxypropanoic acid?
2-amino-3-phenylmethoxycarbonyloxypropanoic acid has a molecular weight of 239.23 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylmethoxycarbonyloxypropanoic acid is sourced from PubChem (CID 67008928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).