3-(dimethylamino)-3-(oxan-4-yl)propanoic acid

C10H19NO3 — CID 64528543

IUPAC3-(dimethylamino)-3-(oxan-4-yl)propanoic acid
SMILESCN(C)C(CC(=O)O)C1CCOCC1
InChIInChI=1S/C10H19NO3/c1-11(2)9(7-10(12)13)8-3-5-14-6-4-8/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyDECLTERYYIOXNX-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.82
Rot. Bonds4

About 3-(dimethylamino)-3-(oxan-4-yl)propanoic acid

3-(dimethylamino)-3-(oxan-4-yl)propanoic acid (PubChem CID 64528543) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(dimethylamino)-3-(oxan-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-3-(oxan-4-yl)propanoic acid
PubChem CID64528543
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-(dimethylamino)-3-(oxan-4-yl)propanoic acid
SMILESCN(C)C(CC(=O)O)C1CCOCC1
InChIInChI=1S/C10H19NO3/c1-11(2)9(7-10(12)13)8-3-5-14-6-4-8/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyDECLTERYYIOXNX-UHFFFAOYSA-N
XLogP0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate
CID 116910252
4-(dimethylamino)-2,2-dimethyl-4-(oxan-4-yl)butanoic acid
CID 116908336
(2R)-2-(oxan-4-yl)butanedioic acid
CID 129389221
2-chloro-N,N-dimethyl-1-(oxan-4-yl)ethanamine
CID 116907498
methyl 4-(dimethylamino)-4-(oxan-4-yl)butanoate
CID 116910321
3-(dimethylamino)-3-(oxan-4-yl)propanenitrile
CID 116910000
4,4-difluoro-3-(oxan-4-yl)butanoic acid
CID 115025684
4-amino-3-(oxan-4-yl)hexanoic acid
CID 66096291
3-cyclopropyl-3-[2-hydroxyethyl(methyl)amino]propanoic acid
CID 83817691
1-N,1-N-dimethyl-1-(oxan-4-yl)pentane-1,4-diamine
CID 116905634
2-[methyl(oxane-4-carbonyl)amino]acetic acid
CID 28778128
3-amino-N,N-dimethyl-3-(oxan-4-yl)propanamide
CID 116850358

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-(oxan-4-yl)propanoic acid?
The IUPAC name of 3-(dimethylamino)-3-(oxan-4-yl)propanoic acid (CID 64528543) is 3-(dimethylamino)-3-(oxan-4-yl)propanoic acid.
What is the SMILES notation for 3-(dimethylamino)-3-(oxan-4-yl)propanoic acid?
The canonical SMILES for 3-(dimethylamino)-3-(oxan-4-yl)propanoic acid is CN(C)C(CC(=O)O)C1CCOCC1.
What is the InChIKey of 3-(dimethylamino)-3-(oxan-4-yl)propanoic acid?
The InChIKey is DECLTERYYIOXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-11(2)9(7-10(12)13)8-3-5-14-6-4-8/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-(dimethylamino)-3-(oxan-4-yl)propanoic acid?
3-(dimethylamino)-3-(oxan-4-yl)propanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-(oxan-4-yl)propanoic acid is sourced from PubChem (CID 64528543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).