3-(dimethylamino)-4-hydroxypentanoic acid

C7H15NO3 — CID 151302792

IUPAC3-(dimethylamino)-4-hydroxypentanoic acid
SMILESCC(O)C(CC(=O)O)N(C)C
InChIInChI=1S/C7H15NO3/c1-5(9)6(8(2)3)4-7(10)11/h5-6,9H,4H2,1-3H3,(H,10,11)
InChIKeyOCTSDBMWPJXJHX-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.23
Rot. Bonds4

About 3-(dimethylamino)-4-hydroxypentanoic acid

3-(dimethylamino)-4-hydroxypentanoic acid (PubChem CID 151302792) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-(dimethylamino)-4-hydroxypentanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-4-hydroxypentanoic acid
PubChem CID151302792
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name3-(dimethylamino)-4-hydroxypentanoic acid
SMILESCC(O)C(CC(=O)O)N(C)C
InChIInChI=1S/C7H15NO3/c1-5(9)6(8(2)3)4-7(10)11/h5-6,9H,4H2,1-3H3,(H,10,11)
InChIKeyOCTSDBMWPJXJHX-UHFFFAOYSA-N
XLogP-0.23
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

butanedioic acid;1-(dimethylamino)ethanol
CID 87203618
CID 90459779
CID 90459779
3-methylbutanoic acid
CID 20849036
3-hydroxy-4-[2-hydroxypropyl(methyl)amino]butanoic acid
CID 82768960
(3S)-3-methyl-4-oxopentanoic acid
CID 12576879
sodium;hydride;(3S)-3-hydroxybutanoic acid
CID 173289884
CID 59102159
CID 59102159
3,5-bis(dimethylamino)pentan-2-ol
CID 57282569
(2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol
CID 129044459
4-(dimethylamino)-3,5,5-trimethylhexanoic acid
CID 116908129
argon;3-methylbutanoic acid
CID 158006921
CID 87948469
CID 87948469

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-hydroxypentanoic acid?
The IUPAC name of 3-(dimethylamino)-4-hydroxypentanoic acid (CID 151302792) is 3-(dimethylamino)-4-hydroxypentanoic acid.
What is the SMILES notation for 3-(dimethylamino)-4-hydroxypentanoic acid?
The canonical SMILES for 3-(dimethylamino)-4-hydroxypentanoic acid is CC(O)C(CC(=O)O)N(C)C.
What is the InChIKey of 3-(dimethylamino)-4-hydroxypentanoic acid?
The InChIKey is OCTSDBMWPJXJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-5(9)6(8(2)3)4-7(10)11/h5-6,9H,4H2,1-3H3,(H,10,11).
What are the key properties of 3-(dimethylamino)-4-hydroxypentanoic acid?
3-(dimethylamino)-4-hydroxypentanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-hydroxypentanoic acid is sourced from PubChem (CID 151302792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).