3-(benzhydrylcarbamoylamino)propanoic acid

C17H18N2O3 — CID 108867375

IUPAC3-(benzhydrylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2O3/c20-15(21)11-12-18-17(22)19-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,20,21)(H2,18,19,22)
InChIKeyAKSZUKPWNKXBCQ-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.55
Rot. Bonds6

About 3-(benzhydrylcarbamoylamino)propanoic acid

3-(benzhydrylcarbamoylamino)propanoic acid (PubChem CID 108867375) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(benzhydrylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(benzhydrylcarbamoylamino)propanoic acid
PubChem CID108867375
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-(benzhydrylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2O3/c20-15(21)11-12-18-17(22)19-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,20,21)(H2,18,19,22)
InChIKeyAKSZUKPWNKXBCQ-UHFFFAOYSA-N
XLogP2.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43445708
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CID 142646590
1-[(4-methylphenyl)-phenylmethyl]-3-propylurea
CID 133230842
1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea
CID 108867607
1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
CID 41304292
1-benzhydryl-3-prop-2-ynylurea
CID 41304336
1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea
CID 91813352
1-benzhydryl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]urea
CID 108874846
3-[(2-methylsulfanyl-2-phenylacetyl)amino]propanoic acid
CID 119350905
1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea
CID 71798567
4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]butanoic acid
CID 122022193

Frequently Asked Questions

What is the IUPAC name of 3-(benzhydrylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(benzhydrylcarbamoylamino)propanoic acid (CID 108867375) is 3-(benzhydrylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(benzhydrylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(benzhydrylcarbamoylamino)propanoic acid is O=C(O)CCNC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(benzhydrylcarbamoylamino)propanoic acid?
The InChIKey is AKSZUKPWNKXBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-15(21)11-12-18-17(22)19-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,20,21)(H2,18,19,22).
What are the key properties of 3-(benzhydrylcarbamoylamino)propanoic acid?
3-(benzhydrylcarbamoylamino)propanoic acid has a molecular weight of 298.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzhydrylcarbamoylamino)propanoic acid is sourced from PubChem (CID 108867375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).