3-[acetyl(butyl)amino]pentanoic acid

C11H21NO3 — CID 87789164

IUPAC3-[acetyl(butyl)amino]pentanoic acid
SMILESCCCCN(C(C)=O)C(CC)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-4-6-7-12(9(3)13)10(5-2)8-11(14)15/h10H,4-8H2,1-3H3,(H,14,15)
InChIKeyMDQPVUAIINNESW-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.89
Rot. Bonds7

About 3-[acetyl(butyl)amino]pentanoic acid

3-[acetyl(butyl)amino]pentanoic acid (PubChem CID 87789164) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[acetyl(butyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-[acetyl(butyl)amino]pentanoic acid
PubChem CID87789164
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[acetyl(butyl)amino]pentanoic acid
SMILESCCCCN(C(C)=O)C(CC)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-4-6-7-12(9(3)13)10(5-2)8-11(14)15/h10H,4-8H2,1-3H3,(H,14,15)
InChIKeyMDQPVUAIINNESW-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

3-(dimethylamino)heptanoic acid
CID 64527773
3-[ethyl(methyl)amino]pentanoic acid
CID 63067557
3-[2-hydroxyethyl(methyl)amino]pentanoic acid
CID 112708683
2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid
CID 61186225
3-[methyl(3-methylbutyl)amino]pentanoic acid
CID 63074034
3-[decanoyl-[3-(dimethylamino)propyl]amino]dodecanoic acid
CID 169107453
3-(diacetylamino)pentanedioic acid
CID 89234095
3-(dimethylamino)hexanoic acid
CID 64527574
butyl(propan-2-yl)carbamic acid
CID 87287717
3-(didecylamino)hexanoic acid
CID 101314409
5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid
CID 60662142
3-[di(tricosyl)amino]hexanoic acid
CID 101314733

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butyl)amino]pentanoic acid?
The IUPAC name of 3-[acetyl(butyl)amino]pentanoic acid (CID 87789164) is 3-[acetyl(butyl)amino]pentanoic acid.
What is the SMILES notation for 3-[acetyl(butyl)amino]pentanoic acid?
The canonical SMILES for 3-[acetyl(butyl)amino]pentanoic acid is CCCCN(C(C)=O)C(CC)CC(=O)O.
What is the InChIKey of 3-[acetyl(butyl)amino]pentanoic acid?
The InChIKey is MDQPVUAIINNESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-6-7-12(9(3)13)10(5-2)8-11(14)15/h10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 3-[acetyl(butyl)amino]pentanoic acid?
3-[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 3-[acetyl(butyl)amino]pentanoic acid is sourced from PubChem (CID 87789164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).