2-[2-benzamidopropanoyl(propan-2-yl)amino]acetic acid

C15H20N2O4 — CID 60830693

IUPAC2-[2-benzamidopropanoyl(propan-2-yl)amino]acetic acid
SMILESCC(NC(=O)c1ccccc1)C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C15H20N2O4/c1-10(2)17(9-13(18)19)15(21)11(3)16-14(20)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyLYZHVPGIOFQJEW-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.13
Rot. Bonds6

About 2-[2-benzamidopropanoyl(propan-2-yl)amino]acetic acid

2-[2-benzamidopropanoyl(propan-2-yl)amino]acetic acid (PubChem CID 60830693) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[2-benzamidopropanoyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-benzamidopropanoyl(propan-2-yl)amino]acetic acid
PubChem CID60830693
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[2-benzamidopropanoyl(propan-2-yl)amino]acetic acid
SMILESCC(NC(=O)c1ccccc1)C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C15H20N2O4/c1-10(2)17(9-13(18)19)15(21)11(3)16-14(20)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyLYZHVPGIOFQJEW-UHFFFAOYSA-N
XLogP1.13
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-benzamidopropanoyl(propyl)amino]acetic acid
CID 61012746
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
(5S)-5-benzamido-4-oxohexanoic acid
CID 129362331
2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid
CID 60832237
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2593799
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
methyl (2S)-2-benzamidopropanoate
CID 6364617
ethane;N-(4-methyl-3-oxopentan-2-yl)benzamide
CID 168983006
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 65315325

Frequently Asked Questions

What is the IUPAC name of 2-[2-benzamidopropanoyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[2-benzamidopropanoyl(propan-2-yl)amino]acetic acid (CID 60830693) is 2-[2-benzamidopropanoyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-benzamidopropanoyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[2-benzamidopropanoyl(propan-2-yl)amino]acetic acid is CC(NC(=O)c1ccccc1)C(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[2-benzamidopropanoyl(propan-2-yl)amino]acetic acid?
The InChIKey is LYZHVPGIOFQJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(2)17(9-13(18)19)15(21)11(3)16-14(20)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[2-benzamidopropanoyl(propan-2-yl)amino]acetic acid?
2-[2-benzamidopropanoyl(propan-2-yl)amino]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-benzamidopropanoyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 60830693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).