3-[1-phenylethyl(propanoyl)amino]propanoic acid

C14H19NO3 — CID 82323265

IUPAC3-[1-phenylethyl(propanoyl)amino]propanoic acid
SMILESCCC(=O)N(CCC(=O)O)C(C)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-3-13(16)15(10-9-14(17)18)11(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,17,18)
InChIKeyJLESSIFOTPYRMJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.46
Rot. Bonds6

About 3-[1-phenylethyl(propanoyl)amino]propanoic acid

3-[1-phenylethyl(propanoyl)amino]propanoic acid (PubChem CID 82323265) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[1-phenylethyl(propanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[1-phenylethyl(propanoyl)amino]propanoic acid
PubChem CID82323265
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-[1-phenylethyl(propanoyl)amino]propanoic acid
SMILESCCC(=O)N(CCC(=O)O)C(C)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-3-13(16)15(10-9-14(17)18)11(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,17,18)
InChIKeyJLESSIFOTPYRMJ-UHFFFAOYSA-N
XLogP2.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzoyl(1-phenylethyl)amino]propanoic acid
CID 82324526
N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide
CID 135041080
3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide
CID 42699063
N-hydroxy-N-(1-phenylethyl)propanamide
CID 73083140
1-phenylethyl(propyl)carbamic acid
CID 57360234
3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
CID 82328958
2-[(2-bromoacetyl)-[(1R)-1-phenylethyl]amino]acetic acid
CID 146503084
N-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide
CID 10977361
3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid
CID 60832767
2-[2-carboxyethyl(1-phenylethyl)amino]-3-methylbutanoic acid
CID 82328445
N-[2-[acetyl(1-phenylethyl)amino]ethyl]propanamide
CID 113054420
3-[carboxy-[carboxy(phenyl)methyl]amino]propanoic acid
CID 126650108

Frequently Asked Questions

What is the IUPAC name of 3-[1-phenylethyl(propanoyl)amino]propanoic acid?
The IUPAC name of 3-[1-phenylethyl(propanoyl)amino]propanoic acid (CID 82323265) is 3-[1-phenylethyl(propanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[1-phenylethyl(propanoyl)amino]propanoic acid?
The canonical SMILES for 3-[1-phenylethyl(propanoyl)amino]propanoic acid is CCC(=O)N(CCC(=O)O)C(C)c1ccccc1.
What is the InChIKey of 3-[1-phenylethyl(propanoyl)amino]propanoic acid?
The InChIKey is JLESSIFOTPYRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-13(16)15(10-9-14(17)18)11(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[1-phenylethyl(propanoyl)amino]propanoic acid?
3-[1-phenylethyl(propanoyl)amino]propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-phenylethyl(propanoyl)amino]propanoic acid is sourced from PubChem (CID 82323265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).