2-amino-4-methylpentanoic acid;butanoic acid

C10H21NO4 — CID 175118720

IUPAC2-amino-4-methylpentanoic acid;butanoic acid
SMILESCC(C)CC(N)C(=O)O.CCCC(=O)O
InChIInChI=1S/C6H13NO2.C4H8O2/c1-4(2)3-5(7)6(8)9;1-2-3-4(5)6/h4-5H,3,7H2,1-2H3,(H,8,9);2-3H2,1H3,(H,5,6)
InChIKeyGOWJHBGXJOAIGC-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.32
Rot. Bonds5

About 2-amino-4-methylpentanoic acid;butanoic acid

2-amino-4-methylpentanoic acid;butanoic acid (PubChem CID 175118720) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-amino-4-methylpentanoic acid;butanoic acid.

Molecular Properties

Compound Name2-amino-4-methylpentanoic acid;butanoic acid
PubChem CID175118720
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-amino-4-methylpentanoic acid;butanoic acid
SMILESCC(C)CC(N)C(=O)O.CCCC(=O)O
InChIInChI=1S/C6H13NO2.C4H8O2/c1-4(2)3-5(7)6(8)9;1-2-3-4(5)6/h4-5H,3,7H2,1-2H3,(H,8,9);2-3H2,1H3,(H,5,6)
InChIKeyGOWJHBGXJOAIGC-UHFFFAOYSA-N
XLogP1.32
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methylpentanoic acid;propanoic acid
CID 158078275
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
(2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid
CID 160585227
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880
bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 57354298
1-aminoethanol;butanoic acid
CID 173051358
tetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid)
CID 23551161

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylpentanoic acid;butanoic acid?
The IUPAC name of 2-amino-4-methylpentanoic acid;butanoic acid (CID 175118720) is 2-amino-4-methylpentanoic acid;butanoic acid.
What is the SMILES notation for 2-amino-4-methylpentanoic acid;butanoic acid?
The canonical SMILES for 2-amino-4-methylpentanoic acid;butanoic acid is CC(C)CC(N)C(=O)O.CCCC(=O)O.
What is the InChIKey of 2-amino-4-methylpentanoic acid;butanoic acid?
The InChIKey is GOWJHBGXJOAIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C4H8O2/c1-4(2)3-5(7)6(8)9;1-2-3-4(5)6/h4-5H,3,7H2,1-2H3,(H,8,9);2-3H2,1H3,(H,5,6).
What are the key properties of 2-amino-4-methylpentanoic acid;butanoic acid?
2-amino-4-methylpentanoic acid;butanoic acid has a molecular weight of 219.28 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylpentanoic acid;butanoic acid is sourced from PubChem (CID 175118720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).