2-[2-benzamidopropanoyl(propyl)amino]acetic acid

C15H20N2O4 — CID 61012746

IUPAC2-[2-benzamidopropanoyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-3-9-17(10-13(18)19)15(21)11(2)16-14(20)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyOSZCICISVBPITI-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.13
Rot. Bonds7

About 2-[2-benzamidopropanoyl(propyl)amino]acetic acid

2-[2-benzamidopropanoyl(propyl)amino]acetic acid (PubChem CID 61012746) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[2-benzamidopropanoyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-benzamidopropanoyl(propyl)amino]acetic acid
PubChem CID61012746
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[2-benzamidopropanoyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-3-9-17(10-13(18)19)15(21)11(2)16-14(20)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyOSZCICISVBPITI-UHFFFAOYSA-N
XLogP1.13
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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(propan-2-yl)amino]acetic acid
CID 60830693
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
(2R)-2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid
CID 119369801
2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid
CID 119348612
propyl 2-benzamidopropanoate
CID 71628004
N-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51143508
N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide
CID 6724785
(5S)-5-benzamido-4-oxohexanoic acid
CID 129362331
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102098
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102099
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609

Frequently Asked Questions

What is the IUPAC name of 2-[2-benzamidopropanoyl(propyl)amino]acetic acid?
The IUPAC name of 2-[2-benzamidopropanoyl(propyl)amino]acetic acid (CID 61012746) is 2-[2-benzamidopropanoyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[2-benzamidopropanoyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[2-benzamidopropanoyl(propyl)amino]acetic acid is CCCN(CC(=O)O)C(=O)C(C)NC(=O)c1ccccc1.
What is the InChIKey of 2-[2-benzamidopropanoyl(propyl)amino]acetic acid?
The InChIKey is OSZCICISVBPITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-9-17(10-13(18)19)15(21)11(2)16-14(20)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[2-benzamidopropanoyl(propyl)amino]acetic acid?
2-[2-benzamidopropanoyl(propyl)amino]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-benzamidopropanoyl(propyl)amino]acetic acid is sourced from PubChem (CID 61012746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).