2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-methylbutanoic acid

C10H21NO3 — CID 103265823

IUPAC2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(C)C(C)CO)C(=O)O
InChIInChI=1S/C10H21NO3/c1-6(2)9(10(13)14)11-8(4)7(3)5-12/h6-9,11-12H,5H2,1-4H3,(H,13,14)
InChIKeyAHKGTYHUPJERLL-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.70
Rot. Bonds6

About 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-methylbutanoic acid

2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-methylbutanoic acid (PubChem CID 103265823) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-methylbutanoic acid
PubChem CID103265823
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(C)C(C)CO)C(=O)O
InChIInChI=1S/C10H21NO3/c1-6(2)9(10(13)14)11-8(4)7(3)5-12/h6-9,11-12H,5H2,1-4H3,(H,13,14)
InChIKeyAHKGTYHUPJERLL-UHFFFAOYSA-N
XLogP0.70
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-3-methylbutanoic acid
CID 12837669
2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid
CID 103265266
(2S)-2-(1,3-dihydroxypropan-2-ylamino)propanoic acid
CID 139900903
(2S)-2-(2,3-dihydroxypropylamino)-3-methylbutanoic acid
CID 54486502
(2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid
CID 122124273
(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
3-methyl-2-(methylamino)butanoic acid
CID 4378
3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butanoic acid
CID 64631382
2-(1-carboxyethylamino)-3-methylpentanoic acid
CID 155253575
2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid
CID 115353276
(2S)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-methylbutanoic acid
CID 61235989
2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid
CID 103246578

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-methylbutanoic acid (CID 103265823) is 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-methylbutanoic acid is CC(C)C(NC(C)C(C)CO)C(=O)O.
What is the InChIKey of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-methylbutanoic acid?
The InChIKey is AHKGTYHUPJERLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-6(2)9(10(13)14)11-8(4)7(3)5-12/h6-9,11-12H,5H2,1-4H3,(H,13,14).
What are the key properties of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-methylbutanoic acid?
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-methylbutanoic acid has a molecular weight of 203.28 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 103265823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).