2-[2-carboxypropyl(pentanoyl)amino]butanoic acid

C13H23NO5 — CID 82323586

IUPAC2-[2-carboxypropyl(pentanoyl)amino]butanoic acid
SMILESCCCCC(=O)N(CC(C)C(=O)O)C(CC)C(=O)O
InChIInChI=1S/C13H23NO5/c1-4-6-7-11(15)14(8-9(3)12(16)17)10(5-2)13(18)19/h9-10H,4-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyWRECFONDCDXHIR-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.59
Rot. Bonds9

About 2-[2-carboxypropyl(pentanoyl)amino]butanoic acid

2-[2-carboxypropyl(pentanoyl)amino]butanoic acid (PubChem CID 82323586) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[2-carboxypropyl(pentanoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[2-carboxypropyl(pentanoyl)amino]butanoic acid
PubChem CID82323586
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-[2-carboxypropyl(pentanoyl)amino]butanoic acid
SMILESCCCCC(=O)N(CC(C)C(=O)O)C(CC)C(=O)O
InChIInChI=1S/C13H23NO5/c1-4-6-7-11(15)14(8-9(3)12(16)17)10(5-2)13(18)19/h9-10H,4-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyWRECFONDCDXHIR-UHFFFAOYSA-N
XLogP1.59
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-carboxypropyl(2-methylpropanoyl)amino]butanoic acid
CID 82323705
2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid
CID 82323920
2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid
CID 82324036
2-methyl-3-[methyl(nonanoyl)amino]propanoic acid
CID 55008354
3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323658
2-[2-carboxypropyl(cyclohexanecarbonyl)amino]butanoic acid
CID 82324234
3-(4-chloro-N-pentanoylanilino)-2-methylpropanoic acid
CID 82320934
2-[methyl(pentanoyl)amino]propanoic acid
CID 62627616
2-[2-carboxypropyl(3-oxobutan-2-yl)amino]butanoic acid
CID 82329397
3-[butyl(propanoyl)amino]-2-methylpropanoic acid
CID 82323303
5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid
CID 60662142
2-methyl-3-[(4-methylphenyl)methyl-pentanoylamino]propanoic acid
CID 82323566

Frequently Asked Questions

What is the IUPAC name of 2-[2-carboxypropyl(pentanoyl)amino]butanoic acid?
The IUPAC name of 2-[2-carboxypropyl(pentanoyl)amino]butanoic acid (CID 82323586) is 2-[2-carboxypropyl(pentanoyl)amino]butanoic acid.
What is the SMILES notation for 2-[2-carboxypropyl(pentanoyl)amino]butanoic acid?
The canonical SMILES for 2-[2-carboxypropyl(pentanoyl)amino]butanoic acid is CCCCC(=O)N(CC(C)C(=O)O)C(CC)C(=O)O.
What is the InChIKey of 2-[2-carboxypropyl(pentanoyl)amino]butanoic acid?
The InChIKey is WRECFONDCDXHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-4-6-7-11(15)14(8-9(3)12(16)17)10(5-2)13(18)19/h9-10H,4-8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-carboxypropyl(pentanoyl)amino]butanoic acid?
2-[2-carboxypropyl(pentanoyl)amino]butanoic acid has a molecular weight of 273.33 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carboxypropyl(pentanoyl)amino]butanoic acid is sourced from PubChem (CID 82323586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).