2-hydroxy-3-(phenoxycarbonylamino)propanoic acid

C10H11NO5 — CID 66167293

IUPAC2-hydroxy-3-(phenoxycarbonylamino)propanoic acid
SMILESO=C(NCC(O)C(=O)O)Oc1ccccc1
InChIInChI=1S/C10H11NO5/c12-8(9(13)14)6-11-10(15)16-7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,11,15)(H,13,14)
InChIKeyGCWDBSHZHNWEJF-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.22
Rot. Bonds4

About 2-hydroxy-3-(phenoxycarbonylamino)propanoic acid

2-hydroxy-3-(phenoxycarbonylamino)propanoic acid (PubChem CID 66167293) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-hydroxy-3-(phenoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(phenoxycarbonylamino)propanoic acid
PubChem CID66167293
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name2-hydroxy-3-(phenoxycarbonylamino)propanoic acid
SMILESO=C(NCC(O)C(=O)O)Oc1ccccc1
InChIInChI=1S/C10H11NO5/c12-8(9(13)14)6-11-10(15)16-7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,11,15)(H,13,14)
InChIKeyGCWDBSHZHNWEJF-UHFFFAOYSA-N
XLogP0.22
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[(E,2S)-2-hydroxy-3-methyl-4-phenylbut-3-enyl]carbamate
CID 134952898
phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
CID 102908400
phenyl N-(2-hydroxy-4-methylpentyl)carbamate
CID 113258696
phenyl N-(2-aminobutyl)carbamate
CID 63732215
phenyl N-(2-methylsulfanylpropyl)carbamate
CID 115759417
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
2-methyl-4-(phenoxycarbonylamino)butanoic acid
CID 80540498
(2S)-2-hydroxy-3-(3-phenoxypropylcarbamoylamino)propanoic acid
CID 107839669
phenyl N-(2-oxopropyl)carbamate
CID 18713777
phenyl N-(2-cyclopropylpropyl)carbamate
CID 115591281
phenyl N-phenoxycarbonylcarbamate
CID 11043392
phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(phenoxycarbonylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(phenoxycarbonylamino)propanoic acid (CID 66167293) is 2-hydroxy-3-(phenoxycarbonylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(phenoxycarbonylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(phenoxycarbonylamino)propanoic acid is O=C(NCC(O)C(=O)O)Oc1ccccc1.
What is the InChIKey of 2-hydroxy-3-(phenoxycarbonylamino)propanoic acid?
The InChIKey is GCWDBSHZHNWEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c12-8(9(13)14)6-11-10(15)16-7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,11,15)(H,13,14).
What are the key properties of 2-hydroxy-3-(phenoxycarbonylamino)propanoic acid?
2-hydroxy-3-(phenoxycarbonylamino)propanoic acid has a molecular weight of 225.20 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(phenoxycarbonylamino)propanoic acid is sourced from PubChem (CID 66167293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).