3-[benzyl(pentanoyl)amino]propanoic acid

C15H21NO3 — CID 82323494

IUPAC3-[benzyl(pentanoyl)amino]propanoic acid
SMILESCCCCC(=O)N(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C15H21NO3/c1-2-3-9-14(17)16(11-10-15(18)19)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,18,19)
InChIKeyWWTKBDNBMHADRD-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.68
Rot. Bonds8

About 3-[benzyl(pentanoyl)amino]propanoic acid

3-[benzyl(pentanoyl)amino]propanoic acid (PubChem CID 82323494) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[benzyl(pentanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[benzyl(pentanoyl)amino]propanoic acid
PubChem CID82323494
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[benzyl(pentanoyl)amino]propanoic acid
SMILESCCCCC(=O)N(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C15H21NO3/c1-2-3-9-14(17)16(11-10-15(18)19)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,18,19)
InChIKeyWWTKBDNBMHADRD-UHFFFAOYSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide
CID 82103781
N-benzyl-N-butyl-4-hydroxybutanamide
CID 139706995
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid
CID 28642443
6-[benzyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 60948107
N-benzyl-N-butylpropanamide
CID 12502571
3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid
CID 82323491
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
3-[butanoyl-[(4-methylphenyl)methyl]amino]propanoic acid
CID 82323385

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(pentanoyl)amino]propanoic acid?
The IUPAC name of 3-[benzyl(pentanoyl)amino]propanoic acid (CID 82323494) is 3-[benzyl(pentanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[benzyl(pentanoyl)amino]propanoic acid?
The canonical SMILES for 3-[benzyl(pentanoyl)amino]propanoic acid is CCCCC(=O)N(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(pentanoyl)amino]propanoic acid?
The InChIKey is WWTKBDNBMHADRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-3-9-14(17)16(11-10-15(18)19)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,18,19).
What are the key properties of 3-[benzyl(pentanoyl)amino]propanoic acid?
3-[benzyl(pentanoyl)amino]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(pentanoyl)amino]propanoic acid is sourced from PubChem (CID 82323494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).