4-[acetyl(butyl)amino]pentanoic acid

C11H21NO3 — CID 87834862

IUPAC4-[acetyl(butyl)amino]pentanoic acid
SMILESCCCCN(C(C)=O)C(C)CCC(=O)O
InChIInChI=1S/C11H21NO3/c1-4-5-8-12(10(3)13)9(2)6-7-11(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyVGWUNKDICWDGEC-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.89
Rot. Bonds7

About 4-[acetyl(butyl)amino]pentanoic acid

4-[acetyl(butyl)amino]pentanoic acid (PubChem CID 87834862) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-[acetyl(butyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[acetyl(butyl)amino]pentanoic acid
PubChem CID87834862
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-[acetyl(butyl)amino]pentanoic acid
SMILESCCCCN(C(C)=O)C(C)CCC(=O)O
InChIInChI=1S/C11H21NO3/c1-4-5-8-12(10(3)13)9(2)6-7-11(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyVGWUNKDICWDGEC-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Trimethylammonio)pentanoic Acid
CID 73167559
3-(Dipropylcarbamoyl)propanoic acid
CID 16772313
3-[Methyl(propan-2-yl)carbamoyl]propanoic acid
CID 16787139
4-[Cyclohexyl(methyl)amino]-4-oxobutanoic acid
CID 974695
5-(Diisopropylamino)-5-oxopentanoic acid
CID 221287
3-[Acetyl(butyl)amino]pentanoic acid
CID 87789164
4-(Isopropyl(methyl)amino)butanoic acid
CID 21027685
4-(Dibutylamino)-4-oxobutanoic acid
CID 3380456
Methyl 4-[ethyl(methoxycarbonyl)amino]pentanoate
CID 11378953
4-Oxo-4-[pentan-3-yl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 54875334
4-[Propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid
CID 54926281
4-[Propan-2-yl(4,4,4-trifluorobutanoyl)amino]butanoic acid
CID 65710479

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(butyl)amino]pentanoic acid?
The IUPAC name of 4-[acetyl(butyl)amino]pentanoic acid (CID 87834862) is 4-[acetyl(butyl)amino]pentanoic acid.
What is the SMILES notation for 4-[acetyl(butyl)amino]pentanoic acid?
The canonical SMILES for 4-[acetyl(butyl)amino]pentanoic acid is CCCCN(C(C)=O)C(C)CCC(=O)O.
What is the InChIKey of 4-[acetyl(butyl)amino]pentanoic acid?
The InChIKey is VGWUNKDICWDGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-5-8-12(10(3)13)9(2)6-7-11(14)15/h9H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4-[acetyl(butyl)amino]pentanoic acid?
4-[acetyl(butyl)amino]pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(butyl)amino]pentanoic acid is sourced from PubChem (CID 87834862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).