2-amino-4-(2-methylpentoxy)butanoic acid

C10H21NO3 — CID 103284909

IUPAC2-amino-4-(2-methylpentoxy)butanoic acid
SMILESCCCC(C)COCCC(N)C(=O)O
InChIInChI=1S/C10H21NO3/c1-3-4-8(2)7-14-6-5-9(11)10(12)13/h8-9H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyXDSUIHFAYKBGDL-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.24
Rot. Bonds8

About 2-amino-4-(2-methylpentoxy)butanoic acid

2-amino-4-(2-methylpentoxy)butanoic acid (PubChem CID 103284909) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-amino-4-(2-methylpentoxy)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(2-methylpentoxy)butanoic acid
PubChem CID103284909
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-amino-4-(2-methylpentoxy)butanoic acid
SMILESCCCC(C)COCCC(N)C(=O)O
InChIInChI=1S/C10H21NO3/c1-3-4-8(2)7-14-6-5-9(11)10(12)13/h8-9H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyXDSUIHFAYKBGDL-UHFFFAOYSA-N
XLogP1.24
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-methylpentoxy)propanoic acid
CID 103282764
(2S)-2-amino-4-(2-methylpropoxy)butanoic acid
CID 103942646
2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106448971
(2S)-2-amino-4-(3-methylbutoxy)butanoic acid
CID 106702741
2-amino-4-(2-butoxyethoxy)butanoic acid
CID 63040016
2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid
CID 104563512
(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
methyl 2-(methylamino)-4-(2-methylpentoxy)butanoate
CID 103284997
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
2-methylpentyl (2R)-2-amino-4-methylpentanoate
CID 103284088
2-(2-methylpentoxy)ethanamine
CID 62343431

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methylpentoxy)butanoic acid?
The IUPAC name of 2-amino-4-(2-methylpentoxy)butanoic acid (CID 103284909) is 2-amino-4-(2-methylpentoxy)butanoic acid.
What is the SMILES notation for 2-amino-4-(2-methylpentoxy)butanoic acid?
The canonical SMILES for 2-amino-4-(2-methylpentoxy)butanoic acid is CCCC(C)COCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(2-methylpentoxy)butanoic acid?
The InChIKey is XDSUIHFAYKBGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-4-8(2)7-14-6-5-9(11)10(12)13/h8-9H,3-7,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-4-(2-methylpentoxy)butanoic acid?
2-amino-4-(2-methylpentoxy)butanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methylpentoxy)butanoic acid is sourced from PubChem (CID 103284909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).