4-methyl-2-(3-methylbut-2-enylamino)pentanoic acid

C11H21NO2 — CID 18418747

IUPAC4-methyl-2-(3-methylbut-2-enylamino)pentanoic acid
SMILESCC(C)=CCNC(CC(C)C)C(=O)O
InChIInChI=1S/C11H21NO2/c1-8(2)5-6-12-10(11(13)14)7-9(3)4/h5,9-10,12H,6-7H2,1-4H3,(H,13,14)
InChIKeyCVPYTQOBVRARBL-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.04
Rot. Bonds6

About 4-methyl-2-(3-methylbut-2-enylamino)pentanoic acid

4-methyl-2-(3-methylbut-2-enylamino)pentanoic acid (PubChem CID 18418747) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-methyl-2-(3-methylbut-2-enylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(3-methylbut-2-enylamino)pentanoic acid
PubChem CID18418747
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-methyl-2-(3-methylbut-2-enylamino)pentanoic acid
SMILESCC(C)=CCNC(CC(C)C)C(=O)O
InChIInChI=1S/C11H21NO2/c1-8(2)5-6-12-10(11(13)14)7-9(3)4/h5,9-10,12H,6-7H2,1-4H3,(H,13,14)
InChIKeyCVPYTQOBVRARBL-UHFFFAOYSA-N
XLogP2.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylbut-2-enylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(3-methylbut-2-enylamino)pentanoic acid (CID 18418747) is 4-methyl-2-(3-methylbut-2-enylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(3-methylbut-2-enylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(3-methylbut-2-enylamino)pentanoic acid is CC(C)=CCNC(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-(3-methylbut-2-enylamino)pentanoic acid?
The InChIKey is CVPYTQOBVRARBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)5-6-12-10(11(13)14)7-9(3)4/h5,9-10,12H,6-7H2,1-4H3,(H,13,14).
What are the key properties of 4-methyl-2-(3-methylbut-2-enylamino)pentanoic acid?
4-methyl-2-(3-methylbut-2-enylamino)pentanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylbut-2-enylamino)pentanoic acid is sourced from PubChem (CID 18418747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).