2-(benzhydrylcarbamoylamino)acetic acid

C16H16N2O3 — CID 43445708

IUPAC2-(benzhydrylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N2O3/c19-14(20)11-17-16(21)18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,19,20)(H2,17,18,21)
InChIKeyWYICLILNGNEFML-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.16
Rot. Bonds5

About 2-(benzhydrylcarbamoylamino)acetic acid

2-(benzhydrylcarbamoylamino)acetic acid (PubChem CID 43445708) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(benzhydrylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-(benzhydrylcarbamoylamino)acetic acid
PubChem CID43445708
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-(benzhydrylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N2O3/c19-14(20)11-17-16(21)18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,19,20)(H2,17,18,21)
InChIKeyWYICLILNGNEFML-UHFFFAOYSA-N
XLogP2.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(benzhydrylcarbamoylamino)propanoic acid
CID 108867375
1-benzhydryl-3-prop-2-ynylurea
CID 41304336
2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid
CID 62306268
1-benzhydryl-3-(2-methoxyethyl)urea
CID 108867401
1-benzhydryl-3-octadecylurea
CID 142646590
1-benzhydryl-3-(cyclohexylmethyl)urea
CID 108902827
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-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111503860
1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea
CID 91813352
1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798424

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylcarbamoylamino)acetic acid?
The IUPAC name of 2-(benzhydrylcarbamoylamino)acetic acid (CID 43445708) is 2-(benzhydrylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-(benzhydrylcarbamoylamino)acetic acid?
The canonical SMILES for 2-(benzhydrylcarbamoylamino)acetic acid is O=C(O)CNC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydrylcarbamoylamino)acetic acid?
The InChIKey is WYICLILNGNEFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-14(20)11-17-16(21)18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-(benzhydrylcarbamoylamino)acetic acid?
2-(benzhydrylcarbamoylamino)acetic acid has a molecular weight of 284.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylcarbamoylamino)acetic acid is sourced from PubChem (CID 43445708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).