3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid

C10H21NO3 — CID 82328088

IUPAC3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid
SMILESCCCN(CCC(=O)O)C(CC)CO
InChIInChI=1S/C10H21NO3/c1-3-6-11(7-5-10(13)14)9(4-2)8-12/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyDVHRKMKSTYUCTA-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.94
Rot. Bonds8

About 3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid

3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid (PubChem CID 82328088) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid
PubChem CID82328088
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid
SMILESCCCN(CCC(=O)O)C(CC)CO
InChIInChI=1S/C10H21NO3/c1-3-6-11(7-5-10(13)14)9(4-2)8-12/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyDVHRKMKSTYUCTA-UHFFFAOYSA-N
XLogP0.94
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-hydroxybutan-2-yl(2-oxopropyl)amino]propanoic acid
CID 82329128
3-[1-hydroxybutan-2-yl(methyl)amino]propanoic acid
CID 82328726
3-[benzyl(1-hydroxybutan-2-yl)amino]propanoic acid
CID 82327539
2-[2-carboxyethyl(propyl)amino]propanoic acid
CID 82328060
3-[3-oxobutan-2-yl(propyl)amino]propanoic acid
CID 82329288
3-[1-hydroxybutan-2-yl(methylsulfonyl)amino]propanoic acid
CID 82326353
3-[methyl(pentan-3-yl)amino]propanoic acid
CID 43571317
3-[1-phenylpropyl(propyl)amino]propanoic acid
CID 119135012
2-(dipropylamino)-4-methylpentan-1-ol
CID 104549265
2-[heptan-3-yl(propyl)amino]acetic acid
CID 65064698
3-[2-hydroxyethyl(pentan-3-yl)amino]propanehydrazide
CID 63585165
2-[ethyl(2-hydroxyethyl)amino]butan-1-ol
CID 87456981

Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid?
The IUPAC name of 3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid (CID 82328088) is 3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid.
What is the SMILES notation for 3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid?
The canonical SMILES for 3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid is CCCN(CCC(=O)O)C(CC)CO.
What is the InChIKey of 3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid?
The InChIKey is DVHRKMKSTYUCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-6-11(7-5-10(13)14)9(4-2)8-12/h9,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid?
3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid has a molecular weight of 203.28 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid is sourced from PubChem (CID 82328088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).