2-amino-2-ethyl-4-hydroxybutanoic acid

C6H13NO3 — CID 20523504

IUPAC2-amino-2-ethyl-4-hydroxybutanoic acid
SMILESCCC(N)(CCO)C(=O)O
InChIInChI=1S/C6H13NO3/c1-2-6(7,3-4-8)5(9)10/h8H,2-4,7H2,1H3,(H,9,10)
InChIKeyQHNDSUKBKRIRTL-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.44
Rot. Bonds4

About 2-amino-2-ethyl-4-hydroxybutanoic acid

2-amino-2-ethyl-4-hydroxybutanoic acid (PubChem CID 20523504) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-amino-2-ethyl-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-amino-2-ethyl-4-hydroxybutanoic acid
PubChem CID20523504
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-amino-2-ethyl-4-hydroxybutanoic acid
SMILESCCC(N)(CCO)C(=O)O
InChIInChI=1S/C6H13NO3/c1-2-6(7,3-4-8)5(9)10/h8H,2-4,7H2,1H3,(H,9,10)
InChIKeyQHNDSUKBKRIRTL-UHFFFAOYSA-N
XLogP-0.44
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride
CID 174202899
2-amino-2-(2-hydroxyethyl)-4-oxobutanoic acid
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2-amino-2-ethyl-5-hydroxypent-4-enoic acid
CID 173443210
(2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid
CID 144859243
2-amino-2-ethyl-6-(ethylamino)hexanoic acid
CID 123842280
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid
CID 106806545
2,2-diamino-4-hydroxybutanoic acid
CID 21257162
2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid
CID 106805783
2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid
CID 106806761
acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol
CID 173173099
2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid
CID 106807151

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-4-hydroxybutanoic acid?
The IUPAC name of 2-amino-2-ethyl-4-hydroxybutanoic acid (CID 20523504) is 2-amino-2-ethyl-4-hydroxybutanoic acid.
What is the SMILES notation for 2-amino-2-ethyl-4-hydroxybutanoic acid?
The canonical SMILES for 2-amino-2-ethyl-4-hydroxybutanoic acid is CCC(N)(CCO)C(=O)O.
What is the InChIKey of 2-amino-2-ethyl-4-hydroxybutanoic acid?
The InChIKey is QHNDSUKBKRIRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-2-6(7,3-4-8)5(9)10/h8H,2-4,7H2,1H3,(H,9,10).
What are the key properties of 2-amino-2-ethyl-4-hydroxybutanoic acid?
2-amino-2-ethyl-4-hydroxybutanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-4-hydroxybutanoic acid is sourced from PubChem (CID 20523504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).