2-methylpentyl 4-amino-2-hydroxybutanoate

C10H21NO3 — CID 107837690

IUPAC2-methylpentyl 4-amino-2-hydroxybutanoate
SMILESCCCC(C)COC(=O)C(O)CCN
InChIInChI=1S/C10H21NO3/c1-3-4-8(2)7-14-10(13)9(12)5-6-11/h8-9,12H,3-7,11H2,1-2H3
InChIKeyGXUGIJGMHFGXNA-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.68
Rot. Bonds7

About 2-methylpentyl 4-amino-2-hydroxybutanoate

2-methylpentyl 4-amino-2-hydroxybutanoate (PubChem CID 107837690) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-methylpentyl 4-amino-2-hydroxybutanoate.

Molecular Properties

Compound Name2-methylpentyl 4-amino-2-hydroxybutanoate
PubChem CID107837690
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-methylpentyl 4-amino-2-hydroxybutanoate
SMILESCCCC(C)COC(=O)C(O)CCN
InChIInChI=1S/C10H21NO3/c1-3-4-8(2)7-14-10(13)9(12)5-6-11/h8-9,12H,3-7,11H2,1-2H3
InChIKeyGXUGIJGMHFGXNA-UHFFFAOYSA-N
XLogP0.68
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpentyl 3-amino-2-methylpropanoate
CID 103284221
2-methylpentyl 2-aminopropanoate
CID 103284268
2-methylpentyl carbonofluoridate
CID 175528242
pentan-2-yl (2S)-4-amino-2-hydroxybutanoate
CID 107837685
butyl 4-amino-2-hydroxybutanoate
CID 107837486
2-methylpentyl 2-amino-3-methylpentanoate
CID 103284350
1-(2-methylpentoxy)-1-oxopropane-2-sulfinic acid
CID 91216375
2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate
CID 107837699
2-methylpentyl (2R)-2-amino-4-methylpentanoate
CID 103284088
2-(2-methylpentoxy)ethanamine
CID 62343431
butan-2-yl 4-amino-2-hydroxybutanoate
CID 107837492
2-methylpentyl 2-amino-5-methoxypentanoate
CID 103284131

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 4-amino-2-hydroxybutanoate?
The IUPAC name of 2-methylpentyl 4-amino-2-hydroxybutanoate (CID 107837690) is 2-methylpentyl 4-amino-2-hydroxybutanoate.
What is the SMILES notation for 2-methylpentyl 4-amino-2-hydroxybutanoate?
The canonical SMILES for 2-methylpentyl 4-amino-2-hydroxybutanoate is CCCC(C)COC(=O)C(O)CCN.
What is the InChIKey of 2-methylpentyl 4-amino-2-hydroxybutanoate?
The InChIKey is GXUGIJGMHFGXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-4-8(2)7-14-10(13)9(12)5-6-11/h8-9,12H,3-7,11H2,1-2H3.
What are the key properties of 2-methylpentyl 4-amino-2-hydroxybutanoate?
2-methylpentyl 4-amino-2-hydroxybutanoate has a molecular weight of 203.28 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 4-amino-2-hydroxybutanoate is sourced from PubChem (CID 107837690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).