2-[[4-[(1-phenoxycyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid

C20H20N2O5 — CID 122109184

IUPAC2-[[4-[(1-phenoxycyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid
SMILESCC(NC(=O)c1ccc(NC(=O)C2(Oc3ccccc3)CC2)cc1)C(=O)O
InChIInChI=1S/C20H20N2O5/c1-13(18(24)25)21-17(23)14-7-9-15(10-8-14)22-19(26)20(11-12-20)27-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,21,23)(H,22,26)(H,24,25)
InChIKeyXCLJSTXLNKOQCY-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.44
Rot. Bonds7

About 2-[[4-[(1-phenoxycyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid

2-[[4-[(1-phenoxycyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid (PubChem CID 122109184) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[[4-[(1-phenoxycyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[4-[(1-phenoxycyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid
PubChem CID122109184
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-[[4-[(1-phenoxycyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid
SMILESCC(NC(=O)c1ccc(NC(=O)C2(Oc3ccccc3)CC2)cc1)C(=O)O
InChIInChI=1S/C20H20N2O5/c1-13(18(24)25)21-17(23)14-7-9-15(10-8-14)22-19(26)20(11-12-20)27-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,21,23)(H,22,26)(H,24,25)
InChIKeyXCLJSTXLNKOQCY-UHFFFAOYSA-N
XLogP2.44
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-phenoxycyclopropanecarbonyl)amino]propanoic acid
CID 122107689
(2R)-2-[[4-[[(2S)-2-methyloxolane-2-carbonyl]amino]benzoyl]amino]propanoic acid
CID 125120217
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784
2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 24639209
4-methoxy-N-[4-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 119756449
2-[(4-propan-2-ylbenzoyl)amino]propanoic acid
CID 16769025
N-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide
CID 141018684
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide
CID 124854866
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55927240
(2S)-2-[[3-[[(1S)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571628

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(1-phenoxycyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid?
The IUPAC name of 2-[[4-[(1-phenoxycyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid (CID 122109184) is 2-[[4-[(1-phenoxycyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[4-[(1-phenoxycyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[[4-[(1-phenoxycyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid is CC(NC(=O)c1ccc(NC(=O)C2(Oc3ccccc3)CC2)cc1)C(=O)O.
What is the InChIKey of 2-[[4-[(1-phenoxycyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid?
The InChIKey is XCLJSTXLNKOQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-13(18(24)25)21-17(23)14-7-9-15(10-8-14)22-19(26)20(11-12-20)27-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,21,23)(H,22,26)(H,24,25).
What are the key properties of 2-[[4-[(1-phenoxycyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid?
2-[[4-[(1-phenoxycyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid has a molecular weight of 368.39 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(1-phenoxycyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid is sourced from PubChem (CID 122109184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).