3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid

C9H19NO3 — CID 106175375

IUPAC3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid
SMILESCCC(C)(CCO)NCCC(=O)O
InChIInChI=1S/C9H19NO3/c1-3-9(2,5-7-11)10-6-4-8(12)13/h10-11H,3-7H2,1-2H3,(H,12,13)
InChIKeyDTSPKQSZEJDINW-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.60
Rot. Bonds7

About 3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid

3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid (PubChem CID 106175375) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid
PubChem CID106175375
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid
SMILESCCC(C)(CCO)NCCC(=O)O
InChIInChI=1S/C9H19NO3/c1-3-9(2,5-7-11)10-6-4-8(12)13/h10-11H,3-7H2,1-2H3,(H,12,13)
InChIKeyDTSPKQSZEJDINW-UHFFFAOYSA-N
XLogP0.60
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate
CID 103774810
3-(3-hydroxybutylamino)-3-methylpentan-1-ol
CID 106175110
3-methyl-3-(4,4,4-trifluorobutylamino)pentan-1-ol
CID 106175291
3-(3-methoxypropylamino)-3-methylpentan-1-ol
CID 103950077
4-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]ethoxy]benzoic acid
CID 106178163
N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 103946136
3-methyl-3-[[5-methyl-5-[[(Z)-4-[[3-methyl-7-(3-methylpentan-3-ylamino)heptan-3-yl]amino]but-2-enyl]amino]heptyl]amino]pentan-1-ol
CID 89345127
4,4-dimethylhexanoic acid
CID 12563914
(E)-3-[(1-hydroxy-3-methylpentan-3-yl)amino]prop-2-enoic acid
CID 106178153
N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide
CID 106166843
5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]pentanoic acid
CID 103261470
1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea
CID 103819942

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid?
The IUPAC name of 3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid (CID 106175375) is 3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid?
The canonical SMILES for 3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid is CCC(C)(CCO)NCCC(=O)O.
What is the InChIKey of 3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid?
The InChIKey is DTSPKQSZEJDINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-3-9(2,5-7-11)10-6-4-8(12)13/h10-11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid?
3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid is sourced from PubChem (CID 106175375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).