3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid

C9H19NO3 — CID 79249096

IUPAC3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(CO)C(C)C
InChIInChI=1S/C9H19NO3/c1-6(2)8(5-11)10-7(3)4-9(12)13/h6-8,10-11H,4-5H2,1-3H3,(H,12,13)
InChIKeyPQFCDSVGAIRWFI-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.46
Rot. Bonds6

About 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid

3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid (PubChem CID 79249096) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid
PubChem CID79249096
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(CO)C(C)C
InChIInChI=1S/C9H19NO3/c1-6(2)8(5-11)10-7(3)4-9(12)13/h6-8,10-11H,4-5H2,1-3H3,(H,12,13)
InChIKeyPQFCDSVGAIRWFI-UHFFFAOYSA-N
XLogP0.46
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid
CID 79254254
ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate
CID 79250594
(2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol
CID 114987230
(2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol
CID 79254000
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]butanoic acid
CID 106190646
(2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
CID 79254407
3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]butanoic acid
CID 106344813
(3S)-4-methyl-3-(methylamino)pentanoic acid
CID 90425684
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide
CID 79249900
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703
3-acetamido-4-methylpentanoic acid
CID 22460001
(3R)-4-methyl-3-(methylamino)pentanoic acid;hydrochloride
CID 87833179

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid?
The IUPAC name of 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid (CID 79249096) is 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid.
What is the SMILES notation for 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid?
The canonical SMILES for 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid is CC(CC(=O)O)NC(CO)C(C)C.
What is the InChIKey of 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid?
The InChIKey is PQFCDSVGAIRWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-6(2)8(5-11)10-7(3)4-9(12)13/h6-8,10-11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid?
3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid is sourced from PubChem (CID 79249096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).