3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid

C9H19NO3 — CID 79397684

IUPAC3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid
SMILESCC(CO)CNC(C)C(C)C(=O)O
InChIInChI=1S/C9H19NO3/c1-6(5-11)4-10-8(3)7(2)9(12)13/h6-8,10-11H,4-5H2,1-3H3,(H,12,13)
InChIKeyOEQFYAPIEYZQDC-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.31
Rot. Bonds6

About 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid

3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid (PubChem CID 79397684) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid
PubChem CID79397684
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid
SMILESCC(CO)CNC(C)C(C)C(=O)O
InChIInChI=1S/C9H19NO3/c1-6(5-11)4-10-8(3)7(2)9(12)13/h6-8,10-11H,4-5H2,1-3H3,(H,12,13)
InChIKeyOEQFYAPIEYZQDC-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(2-methylpropylamino)butanoic acid
CID 79391820
methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoate
CID 79397828
2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid
CID 103253859
2-methyl-3-(propan-2-ylamino)propan-1-ol
CID 20806708
3-(2-ethylhexylamino)-2-methylbutanoic acid
CID 107816704
3-(1-hydroxyethylamino)-2-methylpropan-1-ol
CID 57165615
2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid
CID 43538632
3-(1-hydroxybutan-2-ylamino)-2-methylbutanoic acid
CID 79392374
2-methyl-3-(pentylamino)butanoic acid
CID 79391822
3-(cyclopropylmethylamino)-2-methylbutanoic acid
CID 79392139
3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid
CID 79397099
2-methyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid
CID 79397094

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid?
The IUPAC name of 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid (CID 79397684) is 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid is CC(CO)CNC(C)C(C)C(=O)O.
What is the InChIKey of 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid?
The InChIKey is OEQFYAPIEYZQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-6(5-11)4-10-8(3)7(2)9(12)13/h6-8,10-11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid?
3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79397684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).