2-[(1-phenoxycyclopropanecarbonyl)amino]propanoic acid

C13H15NO4 — CID 122107689

IUPAC2-[(1-phenoxycyclopropanecarbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1(Oc2ccccc2)CC1)C(=O)O
InChIInChI=1S/C13H15NO4/c1-9(11(15)16)14-12(17)13(7-8-13)18-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyCHTCJMKQUYVFCL-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.19
Rot. Bonds5

About 2-[(1-phenoxycyclopropanecarbonyl)amino]propanoic acid

2-[(1-phenoxycyclopropanecarbonyl)amino]propanoic acid (PubChem CID 122107689) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[(1-phenoxycyclopropanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(1-phenoxycyclopropanecarbonyl)amino]propanoic acid
PubChem CID122107689
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-[(1-phenoxycyclopropanecarbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1(Oc2ccccc2)CC1)C(=O)O
InChIInChI=1S/C13H15NO4/c1-9(11(15)16)14-12(17)13(7-8-13)18-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyCHTCJMKQUYVFCL-UHFFFAOYSA-N
XLogP1.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[(1-phenoxycyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid
CID 122109184
(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 54432657
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
N-methyl-1-(2-methylpropyl)-4-phenoxypiperidine-4-carboxamide
CID 175311415
2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119225858
2-(2-phenoxypropanoylamino)propanoic acid
CID 43092023
(2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid
CID 70234502
(2S)-2-(phenoxyamino)propanoic acid
CID 88593893
2-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethoxy]acetic acid
CID 122108853
2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid
CID 82042687
4-[[(1-phenoxycyclopropanecarbonyl)amino]methyl]oxane-4-carboxylic acid
CID 122108588
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenoxycyclopropanecarbonyl)amino]propanoic acid?
The IUPAC name of 2-[(1-phenoxycyclopropanecarbonyl)amino]propanoic acid (CID 122107689) is 2-[(1-phenoxycyclopropanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(1-phenoxycyclopropanecarbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(1-phenoxycyclopropanecarbonyl)amino]propanoic acid is CC(NC(=O)C1(Oc2ccccc2)CC1)C(=O)O.
What is the InChIKey of 2-[(1-phenoxycyclopropanecarbonyl)amino]propanoic acid?
The InChIKey is CHTCJMKQUYVFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-9(11(15)16)14-12(17)13(7-8-13)18-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(1-phenoxycyclopropanecarbonyl)amino]propanoic acid?
2-[(1-phenoxycyclopropanecarbonyl)amino]propanoic acid has a molecular weight of 249.27 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenoxycyclopropanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 122107689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).