2-[(2-ethyl-4-hydroxybutyl)amino]-3-methylbutanoic acid

C11H23NO3 — CID 103259023

IUPAC2-[(2-ethyl-4-hydroxybutyl)amino]-3-methylbutanoic acid
SMILESCCC(CCO)CNC(C(=O)O)C(C)C
InChIInChI=1S/C11H23NO3/c1-4-9(5-6-13)7-12-10(8(2)3)11(14)15/h8-10,12-13H,4-7H2,1-3H3,(H,14,15)
InChIKeyZLGSUWNQEYEVSJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.09
Rot. Bonds8

About 2-[(2-ethyl-4-hydroxybutyl)amino]-3-methylbutanoic acid

2-[(2-ethyl-4-hydroxybutyl)amino]-3-methylbutanoic acid (PubChem CID 103259023) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(2-ethyl-4-hydroxybutyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-4-hydroxybutyl)amino]-3-methylbutanoic acid
PubChem CID103259023
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[(2-ethyl-4-hydroxybutyl)amino]-3-methylbutanoic acid
SMILESCCC(CCO)CNC(C(=O)O)C(C)C
InChIInChI=1S/C11H23NO3/c1-4-9(5-6-13)7-12-10(8(2)3)11(14)15/h8-10,12-13H,4-7H2,1-3H3,(H,14,15)
InChIKeyZLGSUWNQEYEVSJ-UHFFFAOYSA-N
XLogP1.09
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid
CID 122124273
2-(2-hydroxypropylamino)-3-methylbutanoic acid
CID 21121256
(2S)-2-[[(2R)-2-hydroxypropyl]amino]-3-methylbutanoic acid
CID 58703522
(2S)-2-(2,3-dihydroxypropylamino)-3-methylbutanoic acid
CID 54486502
2-(butan-2-ylamino)-3-methylbutanoic acid
CID 12837669
(2S)-2-[[(2S)-2,3-diaminopropyl]amino]-3-methylbutanoic acid
CID 59819419
2-[(3-chloro-2-hydroxypropyl)amino]-3-methylbutanoic acid
CID 156963523
3-(2-ethylhexylamino)-2-methylbutanoic acid
CID 107816704
(2S)-3-methyl-2-[(1,1,2,2-tetradeuterio-2-hydroxyethyl)amino]butanoic acid
CID 131667803
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbutanoic acid
CID 106149098
3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol
CID 106932322
3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 103921662

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-4-hydroxybutyl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(2-ethyl-4-hydroxybutyl)amino]-3-methylbutanoic acid (CID 103259023) is 2-[(2-ethyl-4-hydroxybutyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(2-ethyl-4-hydroxybutyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(2-ethyl-4-hydroxybutyl)amino]-3-methylbutanoic acid is CCC(CCO)CNC(C(=O)O)C(C)C.
What is the InChIKey of 2-[(2-ethyl-4-hydroxybutyl)amino]-3-methylbutanoic acid?
The InChIKey is ZLGSUWNQEYEVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-9(5-6-13)7-12-10(8(2)3)11(14)15/h8-10,12-13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2-ethyl-4-hydroxybutyl)amino]-3-methylbutanoic acid?
2-[(2-ethyl-4-hydroxybutyl)amino]-3-methylbutanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-4-hydroxybutyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 103259023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).