4-[2-hydroxypropyl(methyl)amino]pentanoic acid

C9H19NO3 — CID 62332604

IUPAC4-[2-hydroxypropyl(methyl)amino]pentanoic acid
SMILESCC(O)CN(C)C(C)CCC(=O)O
InChIInChI=1S/C9H19NO3/c1-7(4-5-9(12)13)10(3)6-8(2)11/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyJIEYBTCXRZHPPX-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.55
Rot. Bonds6

About 4-[2-hydroxypropyl(methyl)amino]pentanoic acid

4-[2-hydroxypropyl(methyl)amino]pentanoic acid (PubChem CID 62332604) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 4-[2-hydroxypropyl(methyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[2-hydroxypropyl(methyl)amino]pentanoic acid
PubChem CID62332604
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name4-[2-hydroxypropyl(methyl)amino]pentanoic acid
SMILESCC(O)CN(C)C(C)CCC(=O)O
InChIInChI=1S/C9H19NO3/c1-7(4-5-9(12)13)10(3)6-8(2)11/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyJIEYBTCXRZHPPX-UHFFFAOYSA-N
XLogP0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(methyl)amino]pentanoic acid
CID 62214342
(4R)-4-(dimethylamino)pentanoic acid
CID 92669584
4-(dimethylamino)pentanoic acid
CID 18442969
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid
CID 62215247
(2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol
CID 103934964
4-[cyclopropylmethyl(methyl)amino]pentanoic acid
CID 62213989
butanedioic acid;1-(dimethylamino)ethanol
CID 87203618
4-[methyl(pentan-3-yl)amino]pentanoic acid
CID 62213096
butanoic acid;2-methylpentane
CID 87252946
magnesium;hydride;4-methylpentanoic acid
CID 174689724
N,N-dimethylmethanamine;2-methylpentanedioic acid
CID 174605031
(4R,7R)-4,7-dihydroxyoctanoic acid
CID 90401423

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxypropyl(methyl)amino]pentanoic acid?
The IUPAC name of 4-[2-hydroxypropyl(methyl)amino]pentanoic acid (CID 62332604) is 4-[2-hydroxypropyl(methyl)amino]pentanoic acid.
What is the SMILES notation for 4-[2-hydroxypropyl(methyl)amino]pentanoic acid?
The canonical SMILES for 4-[2-hydroxypropyl(methyl)amino]pentanoic acid is CC(O)CN(C)C(C)CCC(=O)O.
What is the InChIKey of 4-[2-hydroxypropyl(methyl)amino]pentanoic acid?
The InChIKey is JIEYBTCXRZHPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(4-5-9(12)13)10(3)6-8(2)11/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 4-[2-hydroxypropyl(methyl)amino]pentanoic acid?
4-[2-hydroxypropyl(methyl)amino]pentanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxypropyl(methyl)amino]pentanoic acid is sourced from PubChem (CID 62332604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).