3-(1-anilinopropan-2-ylcarbamoylamino)propanoic acid

C13H19N3O3 — CID 122018548

IUPAC3-(1-anilinopropan-2-ylcarbamoylamino)propanoic acid
SMILESCC(CNc1ccccc1)NC(=O)NCCC(=O)O
InChIInChI=1S/C13H19N3O3/c1-10(9-15-11-5-3-2-4-6-11)16-13(19)14-8-7-12(17)18/h2-6,10,15H,7-9H2,1H3,(H,17,18)(H2,14,16,19)
InChIKeyGPIIZSOBMJPNHZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.26
Rot. Bonds7

About 3-(1-anilinopropan-2-ylcarbamoylamino)propanoic acid

3-(1-anilinopropan-2-ylcarbamoylamino)propanoic acid (PubChem CID 122018548) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(1-anilinopropan-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(1-anilinopropan-2-ylcarbamoylamino)propanoic acid
PubChem CID122018548
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-(1-anilinopropan-2-ylcarbamoylamino)propanoic acid
SMILESCC(CNc1ccccc1)NC(=O)NCCC(=O)O
InChIInChI=1S/C13H19N3O3/c1-10(9-15-11-5-3-2-4-6-11)16-13(19)14-8-7-12(17)18/h2-6,10,15H,7-9H2,1H3,(H,17,18)(H2,14,16,19)
InChIKeyGPIIZSOBMJPNHZ-UHFFFAOYSA-N
XLogP1.26
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-anilinopropyl)-3-[(2R)-butan-2-yl]urea
CID 95147782
3-(benzhydrylcarbamoylamino)propanoic acid
CID 108867375
N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide
CID 57280852
4-[(4-hydroxy-4-phenylbutan-2-yl)carbamoylamino]butanoic acid
CID 122022223
1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea
CID 96541637
3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide
CID 112701585
3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide
CID 61022348
3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid
CID 64605721
3-[[4-(2,3-dihydroxypropylamino)phenyl]carbamoylamino]propanoic acid
CID 168594464
5-(2-phenylpropylcarbamoylamino)hexanoic acid
CID 104592008
4-[1-(2-bromophenyl)propan-2-ylcarbamoylamino]butanoic acid
CID 122006510
3-[[(1S)-1-(4-bromophenyl)ethyl]carbamoylamino]propanoic acid
CID 94221926

Frequently Asked Questions

What is the IUPAC name of 3-(1-anilinopropan-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(1-anilinopropan-2-ylcarbamoylamino)propanoic acid (CID 122018548) is 3-(1-anilinopropan-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(1-anilinopropan-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(1-anilinopropan-2-ylcarbamoylamino)propanoic acid is CC(CNc1ccccc1)NC(=O)NCCC(=O)O.
What is the InChIKey of 3-(1-anilinopropan-2-ylcarbamoylamino)propanoic acid?
The InChIKey is GPIIZSOBMJPNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10(9-15-11-5-3-2-4-6-11)16-13(19)14-8-7-12(17)18/h2-6,10,15H,7-9H2,1H3,(H,17,18)(H2,14,16,19).
What are the key properties of 3-(1-anilinopropan-2-ylcarbamoylamino)propanoic acid?
3-(1-anilinopropan-2-ylcarbamoylamino)propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.26, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-anilinopropan-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 122018548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).