3-(2-phenoxypropanoylamino)propanoic acid

C12H15NO4 — CID 43092387

IUPAC3-(2-phenoxypropanoylamino)propanoic acid
SMILESCC(Oc1ccccc1)C(=O)NCCC(=O)O
InChIInChI=1S/C12H15NO4/c1-9(12(16)13-8-7-11(14)15)17-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,16)(H,14,15)
InChIKeyXUVNQHWXYXKIBC-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.04
Rot. Bonds6

About 3-(2-phenoxypropanoylamino)propanoic acid

3-(2-phenoxypropanoylamino)propanoic acid (PubChem CID 43092387) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-(2-phenoxypropanoylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-phenoxypropanoylamino)propanoic acid
PubChem CID43092387
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3-(2-phenoxypropanoylamino)propanoic acid
SMILESCC(Oc1ccccc1)C(=O)NCCC(=O)O
InChIInChI=1S/C12H15NO4/c1-9(12(16)13-8-7-11(14)15)17-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,16)(H,14,15)
InChIKeyXUVNQHWXYXKIBC-UHFFFAOYSA-N
XLogP1.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid
CID 93306205
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
N-ethyl-2-phenoxypropanamide
CID 4282518
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
N-(6-hydroxyhexyl)-2-phenoxypropanamide
CID 103919352
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide
CID 31790666
(2R)-2-phenoxy-N-(3-propan-2-yloxypropyl)propanamide
CID 2227382
N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide
CID 103861668
(2S)-2-(2-phenoxypropanoylamino)pentanedioic acid
CID 61152729

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxypropanoylamino)propanoic acid?
The IUPAC name of 3-(2-phenoxypropanoylamino)propanoic acid (CID 43092387) is 3-(2-phenoxypropanoylamino)propanoic acid.
What is the SMILES notation for 3-(2-phenoxypropanoylamino)propanoic acid?
The canonical SMILES for 3-(2-phenoxypropanoylamino)propanoic acid is CC(Oc1ccccc1)C(=O)NCCC(=O)O.
What is the InChIKey of 3-(2-phenoxypropanoylamino)propanoic acid?
The InChIKey is XUVNQHWXYXKIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-9(12(16)13-8-7-11(14)15)17-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-(2-phenoxypropanoylamino)propanoic acid?
3-(2-phenoxypropanoylamino)propanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxypropanoylamino)propanoic acid is sourced from PubChem (CID 43092387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).