2-[[2-(2-carbamoylanilino)acetyl]-cyclopropylamino]propanoic acid

C15H19N3O4 — CID 122067482

IUPAC2-[[2-(2-carbamoylanilino)acetyl]-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CNc1ccccc1C(N)=O)C1CC1
InChIInChI=1S/C15H19N3O4/c1-9(15(21)22)18(10-6-7-10)13(19)8-17-12-5-3-2-4-11(12)14(16)20/h2-5,9-10,17H,6-8H2,1H3,(H2,16,20)(H,21,22)
InChIKeyUZAVSXMOQHJMMD-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.66
Rot. Bonds7

About 2-[[2-(2-carbamoylanilino)acetyl]-cyclopropylamino]propanoic acid

2-[[2-(2-carbamoylanilino)acetyl]-cyclopropylamino]propanoic acid (PubChem CID 122067482) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[[2-(2-carbamoylanilino)acetyl]-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2-carbamoylanilino)acetyl]-cyclopropylamino]propanoic acid
PubChem CID122067482
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name2-[[2-(2-carbamoylanilino)acetyl]-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CNc1ccccc1C(N)=O)C1CC1
InChIInChI=1S/C15H19N3O4/c1-9(15(21)22)18(10-6-7-10)13(19)8-17-12-5-3-2-4-11(12)14(16)20/h2-5,9-10,17H,6-8H2,1H3,(H2,16,20)(H,21,22)
InChIKeyUZAVSXMOQHJMMD-UHFFFAOYSA-N
XLogP0.66
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-carbamoylanilino)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122112866
2-[[[2-(2-carbamoylanilino)acetyl]amino]methyl]-4-methylpentanoic acid
CID 122126228
2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]amino]benzamide
CID 32907148
2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid
CID 120519342
2-[cyclopropyl-[3-(2-methylphenyl)butanoyl]amino]propanoic acid
CID 119202486
2-[2-(1-cyclopropylethoxycarbonyl)anilino]acetic acid
CID 23345959
methyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]benzoate
CID 78820382
2-[cyclopropyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119203020
2-[benzyl(cyclopropyl)amino]propanoic acid
CID 119134457
2-(2-propan-2-yloxyethylamino)benzamide
CID 141361883
2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 16606580
2-(cyanomethylamino)benzamide
CID 3086271

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-carbamoylanilino)acetyl]-cyclopropylamino]propanoic acid?
The IUPAC name of 2-[[2-(2-carbamoylanilino)acetyl]-cyclopropylamino]propanoic acid (CID 122067482) is 2-[[2-(2-carbamoylanilino)acetyl]-cyclopropylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(2-carbamoylanilino)acetyl]-cyclopropylamino]propanoic acid?
The canonical SMILES for 2-[[2-(2-carbamoylanilino)acetyl]-cyclopropylamino]propanoic acid is CC(C(=O)O)N(C(=O)CNc1ccccc1C(N)=O)C1CC1.
What is the InChIKey of 2-[[2-(2-carbamoylanilino)acetyl]-cyclopropylamino]propanoic acid?
The InChIKey is UZAVSXMOQHJMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-9(15(21)22)18(10-6-7-10)13(19)8-17-12-5-3-2-4-11(12)14(16)20/h2-5,9-10,17H,6-8H2,1H3,(H2,16,20)(H,21,22).
What are the key properties of 2-[[2-(2-carbamoylanilino)acetyl]-cyclopropylamino]propanoic acid?
2-[[2-(2-carbamoylanilino)acetyl]-cyclopropylamino]propanoic acid has a molecular weight of 305.33 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-carbamoylanilino)acetyl]-cyclopropylamino]propanoic acid is sourced from PubChem (CID 122067482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).