(2S,3R,4S)-2-(diethylamino)-4-hydroxy-3-methylpentanoic acid

C10H21NO3 — CID 143542214

IUPAC(2S,3R,4S)-2-(diethylamino)-4-hydroxy-3-methylpentanoic acid
SMILESCCN(CC)[C@H](C(=O)O)[C@@H](C)[C@H](C)O
InChIInChI=1S/C10H21NO3/c1-5-11(6-2)9(10(13)14)7(3)8(4)12/h7-9,12H,5-6H2,1-4H3,(H,13,14)/t7-,8-,9-/m0/s1
InChIKeyWIVFGIZEJXSLQM-CIUDSAMLSA-N
MW203.28 g/mol
LogP0.80
Rot. Bonds6

About (2S,3R,4S)-2-(diethylamino)-4-hydroxy-3-methylpentanoic acid

(2S,3R,4S)-2-(diethylamino)-4-hydroxy-3-methylpentanoic acid (PubChem CID 143542214) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (2S,3R,4S)-2-(diethylamino)-4-hydroxy-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3R,4S)-2-(diethylamino)-4-hydroxy-3-methylpentanoic acid
PubChem CID143542214
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2S,3R,4S)-2-(diethylamino)-4-hydroxy-3-methylpentanoic acid
SMILESCCN(CC)[C@H](C(=O)O)[C@@H](C)[C@H](C)O
InChIInChI=1S/C10H21NO3/c1-5-11(6-2)9(10(13)14)7(3)8(4)12/h7-9,12H,5-6H2,1-4H3,(H,13,14)/t7-,8-,9-/m0/s1
InChIKeyWIVFGIZEJXSLQM-CIUDSAMLSA-N
XLogP0.80
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-3-methyl-4-oxobutanoic acid
CID 143106312
(2S)-2-(diethylamino)propanoic acid
CID 18664197
(2S,3S)-2,4-dihydroxy-3-methylpentanoic acid
CID 139665341
(2R,3S)-2,4-dihydroxy-3-methylpentanoic acid
CID 139665346
(2S,3S,4S)-2,4-dihydroxy-3-methylpentanoic acid
CID 155797991
(2R,3R)-2-(dimethylamino)-3-hydroxybutanoic acid
CID 131877082
N,N-dimethylethanamine;2-hydroxypropanoic acid
CID 174810971
2-[2-carboxyethyl(ethyl)amino]-3-methylpentanoic acid
CID 82328693
2,3-dihydroxybutanoic acid;methane;yttrium
CID 159544972
(4S)-4-hydroxy-2,3-dimethylpentanoic acid
CID 146599798
2,5-bis(diethylamino)hexanedioic acid
CID 175154471
acetic acid;N,N-diethylbutan-2-amine;hydroiodide
CID 87971936

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-2-(diethylamino)-4-hydroxy-3-methylpentanoic acid?
The IUPAC name of (2S,3R,4S)-2-(diethylamino)-4-hydroxy-3-methylpentanoic acid (CID 143542214) is (2S,3R,4S)-2-(diethylamino)-4-hydroxy-3-methylpentanoic acid.
What is the SMILES notation for (2S,3R,4S)-2-(diethylamino)-4-hydroxy-3-methylpentanoic acid?
The canonical SMILES for (2S,3R,4S)-2-(diethylamino)-4-hydroxy-3-methylpentanoic acid is CCN(CC)[C@H](C(=O)O)[C@@H](C)[C@H](C)O.
What is the InChIKey of (2S,3R,4S)-2-(diethylamino)-4-hydroxy-3-methylpentanoic acid?
The InChIKey is WIVFGIZEJXSLQM-CIUDSAMLSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-11(6-2)9(10(13)14)7(3)8(4)12/h7-9,12H,5-6H2,1-4H3,(H,13,14)/t7-,8-,9-/m0/s1.
What are the key properties of (2S,3R,4S)-2-(diethylamino)-4-hydroxy-3-methylpentanoic acid?
(2S,3R,4S)-2-(diethylamino)-4-hydroxy-3-methylpentanoic acid has a molecular weight of 203.28 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-2-(diethylamino)-4-hydroxy-3-methylpentanoic acid is sourced from PubChem (CID 143542214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).