2-(2-phenoxypropanoylamino)propanoic acid

C12H15NO4 — CID 43092023

IUPAC2-(2-phenoxypropanoylamino)propanoic acid
SMILESCC(NC(=O)C(C)Oc1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO4/c1-8(12(15)16)13-11(14)9(2)17-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,13,14)(H,15,16)
InChIKeyPVNYUBVYNXAWMN-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.04
Rot. Bonds5

About 2-(2-phenoxypropanoylamino)propanoic acid

2-(2-phenoxypropanoylamino)propanoic acid (PubChem CID 43092023) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(2-phenoxypropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-phenoxypropanoylamino)propanoic acid
PubChem CID43092023
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-(2-phenoxypropanoylamino)propanoic acid
SMILESCC(NC(=O)C(C)Oc1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO4/c1-8(12(15)16)13-11(14)9(2)17-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,13,14)(H,15,16)
InChIKeyPVNYUBVYNXAWMN-UHFFFAOYSA-N
XLogP1.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid
CID 53264145
2-[2-(4-bromophenoxy)propanoylamino]propanoic acid
CID 18837935
2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid
CID 82042687
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide
CID 103920159
N-methyl-2-phenoxypropanamide
CID 4626974
2-[2-(3,4-difluorophenoxy)propanoylamino]propanoic acid
CID 119225124
(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid
CID 54990962
N-(1-amino-4-methylpentan-2-yl)-2-phenoxypropanamide
CID 119588476
3-methylsulfanyl-2-(2-phenoxypropanoylamino)propanoic acid
CID 110189852
(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
CID 41198910

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxypropanoylamino)propanoic acid?
The IUPAC name of 2-(2-phenoxypropanoylamino)propanoic acid (CID 43092023) is 2-(2-phenoxypropanoylamino)propanoic acid.
What is the SMILES notation for 2-(2-phenoxypropanoylamino)propanoic acid?
The canonical SMILES for 2-(2-phenoxypropanoylamino)propanoic acid is CC(NC(=O)C(C)Oc1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-phenoxypropanoylamino)propanoic acid?
The InChIKey is PVNYUBVYNXAWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(12(15)16)13-11(14)9(2)17-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-(2-phenoxypropanoylamino)propanoic acid?
2-(2-phenoxypropanoylamino)propanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxypropanoylamino)propanoic acid is sourced from PubChem (CID 43092023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).