2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid

C13H16N2O4 — CID 61262989

IUPAC2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)CNC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C13H16N2O4/c1-13(2,12(18)19)15-10(16)8-14-11(17)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyQDWQFIPEPHYMTQ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.40
Rot. Bonds5

About 2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid

2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid (PubChem CID 61262989) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid
PubChem CID61262989
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)CNC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C13H16N2O4/c1-13(2,12(18)19)15-10(16)8-14-11(17)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyQDWQFIPEPHYMTQ-UHFFFAOYSA-N
XLogP0.40
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115869842
N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide
CID 62520110
2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methylpropanoic acid
CID 61263565
ethyl 2-[(2-benzamidoacetyl)amino]-2-tert-butylsulfanylpropanoate
CID 90111327
N-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide
CID 103941024
2-[(2-benzamidoacetyl)amino]propanedioic acid
CID 44626300
N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
2-benzamidoacetic acid;hydrofluoride
CID 174760685
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 83031754
N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]benzamide
CID 103839771
3-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700956

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid (CID 61262989) is 2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid is CC(C)(NC(=O)CNC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid?
The InChIKey is QDWQFIPEPHYMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-13(2,12(18)19)15-10(16)8-14-11(17)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid?
2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid has a molecular weight of 264.28 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 61262989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).