4-(butan-2-ylamino)-4-methylpentanoic acid

C10H21NO2 — CID 79695269

IUPAC4-(butan-2-ylamino)-4-methylpentanoic acid
SMILESCCC(C)NC(C)(C)CCC(=O)O
InChIInChI=1S/C10H21NO2/c1-5-8(2)11-10(3,4)7-6-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyOJRXCXFPCQVLGY-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.02
Rot. Bonds6

About 4-(butan-2-ylamino)-4-methylpentanoic acid

4-(butan-2-ylamino)-4-methylpentanoic acid (PubChem CID 79695269) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-(butan-2-ylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(butan-2-ylamino)-4-methylpentanoic acid
PubChem CID79695269
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-(butan-2-ylamino)-4-methylpentanoic acid
SMILESCCC(C)NC(C)(C)CCC(=O)O
InChIInChI=1S/C10H21NO2/c1-5-8(2)11-10(3,4)7-6-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyOJRXCXFPCQVLGY-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylamino)-4-methylpentanoic acid?
The IUPAC name of 4-(butan-2-ylamino)-4-methylpentanoic acid (CID 79695269) is 4-(butan-2-ylamino)-4-methylpentanoic acid.
What is the SMILES notation for 4-(butan-2-ylamino)-4-methylpentanoic acid?
The canonical SMILES for 4-(butan-2-ylamino)-4-methylpentanoic acid is CCC(C)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-(butan-2-ylamino)-4-methylpentanoic acid?
The InChIKey is OJRXCXFPCQVLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-8(2)11-10(3,4)7-6-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 4-(butan-2-ylamino)-4-methylpentanoic acid?
4-(butan-2-ylamino)-4-methylpentanoic acid has a molecular weight of 187.28 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylamino)-4-methylpentanoic acid is sourced from PubChem (CID 79695269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).