3-(butan-2-ylamino)-2-methylpropanoic acid

C8H17NO2 — CID 43538355

IUPAC3-(butan-2-ylamino)-2-methylpropanoic acid
SMILESCCC(C)NCC(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-4-7(3)9-5-6(2)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyWPUUDHCYHMBHAR-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.10
Rot. Bonds5

About 3-(butan-2-ylamino)-2-methylpropanoic acid

3-(butan-2-ylamino)-2-methylpropanoic acid (PubChem CID 43538355) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(butan-2-ylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(butan-2-ylamino)-2-methylpropanoic acid
PubChem CID43538355
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-(butan-2-ylamino)-2-methylpropanoic acid
SMILESCCC(C)NCC(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-4-7(3)9-5-6(2)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyWPUUDHCYHMBHAR-UHFFFAOYSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(butan-2-ylamino)-2-methylpropanoic acid (CID 43538355) is 3-(butan-2-ylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(butan-2-ylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(butan-2-ylamino)-2-methylpropanoic acid is CCC(C)NCC(C)C(=O)O.
What is the InChIKey of 3-(butan-2-ylamino)-2-methylpropanoic acid?
The InChIKey is WPUUDHCYHMBHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-7(3)9-5-6(2)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 3-(butan-2-ylamino)-2-methylpropanoic acid?
3-(butan-2-ylamino)-2-methylpropanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)-2-methylpropanoic acid is sourced from PubChem (CID 43538355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).