2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid

C17H24N2O4 — CID 119233732

IUPAC2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid
SMILESCCCNC(=O)CCC(=O)NCC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H24N2O4/c1-2-10-18-15(20)8-9-16(21)19-12-14(17(22)23)11-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyDLWXWRKVZGCHEW-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.35
Rot. Bonds10

About 2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid

2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid (PubChem CID 119233732) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid
PubChem CID119233732
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid
SMILESCCCNC(=O)CCC(=O)NCC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H24N2O4/c1-2-10-18-15(20)8-9-16(21)19-12-14(17(22)23)11-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyDLWXWRKVZGCHEW-UHFFFAOYSA-N
XLogP1.35
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-3-[(2-butoxyacetyl)amino]propanoic acid
CID 119233668
3-(1-phenylpropan-2-ylamino)-N-propylpropanamide
CID 55148984
2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid
CID 119234039
2-benzyl-3-[(3-ethyl-4-methylpentanoyl)amino]propanoic acid
CID 119233521
2-benzyl-3-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]propanoic acid
CID 120687425
(2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide
CID 78985493
2-benzyl-3-[[2-(2-ethoxyphenoxy)acetyl]amino]propanoic acid
CID 119234019
2-benzyl-3-[[2-(4-ethoxyphenoxy)acetyl]amino]propanoic acid
CID 119233936
(2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride
CID 170899624
2-[(2-acetamidopropanoylamino)methyl]-3-phenylpropanoic acid
CID 119234020
2-benzyl-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]propanoic acid
CID 119233408
2-benzyl-3-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid
CID 132967793

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid?
The IUPAC name of 2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid (CID 119233732) is 2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid.
What is the SMILES notation for 2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid?
The canonical SMILES for 2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid is CCCNC(=O)CCC(=O)NCC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid?
The InChIKey is DLWXWRKVZGCHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-2-10-18-15(20)8-9-16(21)19-12-14(17(22)23)11-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid?
2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid has a molecular weight of 320.39 g/mol, XLogP of 1.35, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid is sourced from PubChem (CID 119233732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).