(2S)-2-amino-4-(2-methylpropoxy)butanoic acid

C8H17NO3 — CID 103942646

IUPAC(2S)-2-amino-4-(2-methylpropoxy)butanoic acid
SMILESCC(C)COCC[C@H](N)C(=O)O
InChIInChI=1S/C8H17NO3/c1-6(2)5-12-4-3-7(9)8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyLQIPOXRSJVFNSK-ZETCQYMHSA-N
MW175.23 g/mol
LogP0.46
Rot. Bonds6

About (2S)-2-amino-4-(2-methylpropoxy)butanoic acid

(2S)-2-amino-4-(2-methylpropoxy)butanoic acid (PubChem CID 103942646) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2S)-2-amino-4-(2-methylpropoxy)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(2-methylpropoxy)butanoic acid
PubChem CID103942646
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(2S)-2-amino-4-(2-methylpropoxy)butanoic acid
SMILESCC(C)COCC[C@H](N)C(=O)O
InChIInChI=1S/C8H17NO3/c1-6(2)5-12-4-3-7(9)8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyLQIPOXRSJVFNSK-ZETCQYMHSA-N
XLogP0.46
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.46
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-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106448971
(2S)-2-amino-4-(3-methylbutoxy)butanoic acid
CID 106702741
2-amino-4-[2-(2-methylpropoxy)ethylsulfanyl]butanoic acid
CID 106453121
2-amino-4-(2-methylpentoxy)butanoic acid
CID 103284909
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid
CID 175405425
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
2-amino-4-(3-oxobutoxy)butanoic acid
CID 146272358
(2R)-2-amino-5-methylhexanoic acid
CID 40537121
2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid
CID 104563512
2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103404603
2-amino-4-(2-butoxyethoxy)butanoic acid
CID 63040016
5-methyl-1-(2-methylpropoxy)hexan-3-amine
CID 106459216

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(2-methylpropoxy)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(2-methylpropoxy)butanoic acid (CID 103942646) is (2S)-2-amino-4-(2-methylpropoxy)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(2-methylpropoxy)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(2-methylpropoxy)butanoic acid is CC(C)COCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(2-methylpropoxy)butanoic acid?
The InChIKey is LQIPOXRSJVFNSK-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(2)5-12-4-3-7(9)8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-4-(2-methylpropoxy)butanoic acid?
(2S)-2-amino-4-(2-methylpropoxy)butanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(2-methylpropoxy)butanoic acid is sourced from PubChem (CID 103942646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).