2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid

C12H15N3O4 — CID 61181658

IUPAC2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)NCc1ccccc1
InChIInChI=1S/C12H15N3O4/c16-10(13-8-11(17)18)7-15-12(19)14-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyYOWUFPPLTLCINA-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.31
Rot. Bonds6

About 2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid

2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid (PubChem CID 61181658) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid
PubChem CID61181658
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)NCc1ccccc1
InChIInChI=1S/C12H15N3O4/c16-10(13-8-11(17)18)7-15-12(19)14-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyYOWUFPPLTLCINA-UHFFFAOYSA-N
XLogP-0.31
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide
CID 51530628
2-[(3-bromophenyl)methylcarbamoylamino]acetic acid
CID 16781261
2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
CID 16780933
2-(benzylcarbamoylamino)-N-(2-methylbutan-2-yl)acetamide
CID 46554777
2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 34450279
(2R)-2-[[2-(benzylcarbamoylamino)acetyl]amino]-2-phenylacetamide
CID 41433363
2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106897218
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide
CID 24559411
N-benzyl-2-hydrazinylacetamide
CID 15514349
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid
CID 64693284

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid (CID 61181658) is 2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)NCc1ccccc1.
What is the InChIKey of 2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid?
The InChIKey is YOWUFPPLTLCINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-10(13-8-11(17)18)7-15-12(19)14-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid?
2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid has a molecular weight of 265.27 g/mol, XLogP of -0.31, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 61181658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).