4-methyl-2-(2-methylbutylamino)pentanoic acid

C11H23NO2 — CID 23297604

IUPAC4-methyl-2-(2-methylbutylamino)pentanoic acid
SMILESCCC(C)CNC(CC(C)C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-5-9(4)7-12-10(11(13)14)6-8(2)3/h8-10,12H,5-7H2,1-4H3,(H,13,14)
InChIKeySMPOLFVHBCTPIZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.12
Rot. Bonds7

About 4-methyl-2-(2-methylbutylamino)pentanoic acid

4-methyl-2-(2-methylbutylamino)pentanoic acid (PubChem CID 23297604) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-methyl-2-(2-methylbutylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(2-methylbutylamino)pentanoic acid
PubChem CID23297604
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-methyl-2-(2-methylbutylamino)pentanoic acid
SMILESCCC(C)CNC(CC(C)C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-5-9(4)7-12-10(11(13)14)6-8(2)3/h8-10,12H,5-7H2,1-4H3,(H,13,14)
InChIKeySMPOLFVHBCTPIZ-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,4-dimethylpentylamino)-4-methylpentanoic acid
CID 122037109
(2S)-2-[(2-carboxy-2-hydroxyethyl)amino]-4-methylpentanoic acid
CID 91147914
(2S)-2-(2-methylpropylamino)butanoic acid
CID 149001158
4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid
CID 122044135
(2S)-2-(carboxymethylamino)-4-methylpentanoic acid
CID 15691184
(2R,4S)-4-methyl-2-(methylamino)hexanoic acid
CID 59874884
(2S)-2-(docosylamino)-4-methylpentanoic acid
CID 102091088
2,6-dimethyl-N-(2-methylbutyl)heptan-4-amine
CID 63477692
(2S)-2-(deuteriooxyamino)-4-methylpentanoic acid
CID 175756244
(2S)-2-[[3-[[(1S)-1,2-dicarboxyethyl]amino]-2-methylpropyl]amino]butanedioic acid
CID 18394492
2-[[2-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylpentanoic acid
CID 70085119
3-hydroxy-2-(2-methylpropylamino)propanoic acid
CID 83635492

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylbutylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(2-methylbutylamino)pentanoic acid (CID 23297604) is 4-methyl-2-(2-methylbutylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(2-methylbutylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(2-methylbutylamino)pentanoic acid is CCC(C)CNC(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-(2-methylbutylamino)pentanoic acid?
The InChIKey is SMPOLFVHBCTPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-9(4)7-12-10(11(13)14)6-8(2)3/h8-10,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 4-methyl-2-(2-methylbutylamino)pentanoic acid?
4-methyl-2-(2-methylbutylamino)pentanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylbutylamino)pentanoic acid is sourced from PubChem (CID 23297604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).