4-[3-(methylamino)butoxy]pentanoic acid

C10H21NO3 — CID 167017685

IUPAC4-[3-(methylamino)butoxy]pentanoic acid
SMILESCNC(C)CCOC(C)CCC(=O)O
InChIInChI=1S/C10H21NO3/c1-8(11-3)6-7-14-9(2)4-5-10(12)13/h8-9,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyYZYXKNVPWAVSPG-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.25
Rot. Bonds8

About 4-[3-(methylamino)butoxy]pentanoic acid

4-[3-(methylamino)butoxy]pentanoic acid (PubChem CID 167017685) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-[3-(methylamino)butoxy]pentanoic acid.

Molecular Properties

Compound Name4-[3-(methylamino)butoxy]pentanoic acid
PubChem CID167017685
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name4-[3-(methylamino)butoxy]pentanoic acid
SMILESCNC(C)CCOC(C)CCC(=O)O
InChIInChI=1S/C10H21NO3/c1-8(11-3)6-7-14-9(2)4-5-10(12)13/h8-9,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyYZYXKNVPWAVSPG-UHFFFAOYSA-N
XLogP1.25
TPSA58.56 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 ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic acid
CID 170107362
4-(2-methoxyethoxy)pentanoic acid
CID 62215225
4-(2-butoxyethoxy)pentanoic acid
CID 62213441
4-[3-(ethylamino)butoxy]-N-(2-methylpropyl)pentanamide
CID 167080036
4-acetyloxypentanoic acid
CID 14737198
14-(2-hydroxyethoxy)pentadecanoic acid
CID 173440000
2-(5-carboxypentan-2-yloxy)ethyl-trimethylazanium
CID 166880021
6-methyl-4-(methylamino)heptanoic acid
CID 112517667
(3R)-3-(methylamino)butanoic acid;hydrochloride
CID 146082386
3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid
CID 139938687
ethane;6-methyl-4-(methylamino)-5-oxoheptanoic acid
CID 177135801
3-(2-butan-2-yloxyethoxy)propanoic acid
CID 59266758

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)butoxy]pentanoic acid?
The IUPAC name of 4-[3-(methylamino)butoxy]pentanoic acid (CID 167017685) is 4-[3-(methylamino)butoxy]pentanoic acid.
What is the SMILES notation for 4-[3-(methylamino)butoxy]pentanoic acid?
The canonical SMILES for 4-[3-(methylamino)butoxy]pentanoic acid is CNC(C)CCOC(C)CCC(=O)O.
What is the InChIKey of 4-[3-(methylamino)butoxy]pentanoic acid?
The InChIKey is YZYXKNVPWAVSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(11-3)6-7-14-9(2)4-5-10(12)13/h8-9,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 4-[3-(methylamino)butoxy]pentanoic acid?
4-[3-(methylamino)butoxy]pentanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)butoxy]pentanoic acid is sourced from PubChem (CID 167017685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).