3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid

C9H19NO3 — CID 106349414

IUPAC3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid
SMILESCC(C)C(CCO)NCCC(=O)O
InChIInChI=1S/C9H19NO3/c1-7(2)8(4-6-11)10-5-3-9(12)13/h7-8,10-11H,3-6H2,1-2H3,(H,12,13)
InChIKeyMNSZKRIZSZUUQE-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.46
Rot. Bonds7

About 3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid

3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid (PubChem CID 106349414) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid
PubChem CID106349414
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid
SMILESCC(C)C(CCO)NCCC(=O)O
InChIInChI=1S/C9H19NO3/c1-7(2)8(4-6-11)10-5-3-9(12)13/h7-8,10-11H,3-6H2,1-2H3,(H,12,13)
InChIKeyMNSZKRIZSZUUQE-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(1-hydroxy-4-methylpentan-3-yl)amino]butanoate
CID 104891908
4-methyl-3-(3-methylbutylamino)pentan-1-ol
CID 104696133
3-(2-methoxyethylamino)-4-methylpentan-1-ol
CID 104696168
3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid
CID 106349473
3-(but-3-ynylamino)-4-methylpentan-1-ol
CID 104892114
3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol
CID 106348698
4-methyl-3-(nonylamino)pentan-1-ol
CID 106349451
4-(2-methylpentan-3-ylamino)butanoic acid
CID 60782798
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide
CID 104696201
3-[[1,1,3-trihydroxy-4-(2-hydroxyethyl)-5,5-dimethylhexan-2-yl]amino]propanoic acid
CID 89329611
3-[[(2R)-2,4-dihydroxybutanoyl]amino]propanoic acid
CID 102529377
2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103881700

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid?
The IUPAC name of 3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid (CID 106349414) is 3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid?
The canonical SMILES for 3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid is CC(C)C(CCO)NCCC(=O)O.
What is the InChIKey of 3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid?
The InChIKey is MNSZKRIZSZUUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(2)8(4-6-11)10-5-3-9(12)13/h7-8,10-11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid?
3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid is sourced from PubChem (CID 106349414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).