N,N-dimethylmethanamine;methyl 3-hydroxybutanoate

C8H19NO3 — CID 174690053

IUPACN,N-dimethylmethanamine;methyl 3-hydroxybutanoate
SMILESCN(C)C.COC(=O)CC(C)O
InChIInChI=1S/C5H10O3.C3H9N/c1-4(6)3-5(7)8-2;1-4(2)3/h4,6H,3H2,1-2H3;1-3H3
InChIKeyHPAAPFHIXBUAMI-UHFFFAOYSA-N
MW177.24 g/mol
LogP0.11
Rot. Bonds2

About N,N-dimethylmethanamine;methyl 3-hydroxybutanoate

N,N-dimethylmethanamine;methyl 3-hydroxybutanoate (PubChem CID 174690053) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is N,N-dimethylmethanamine;methyl 3-hydroxybutanoate.

Molecular Properties

Compound NameN,N-dimethylmethanamine;methyl 3-hydroxybutanoate
PubChem CID174690053
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC NameN,N-dimethylmethanamine;methyl 3-hydroxybutanoate
SMILESCN(C)C.COC(=O)CC(C)O
InChIInChI=1S/C5H10O3.C3H9N/c1-4(6)3-5(7)8-2;1-4(2)3/h4,6H,3H2,1-2H3;1-3H3
InChIKeyHPAAPFHIXBUAMI-UHFFFAOYSA-N
XLogP0.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3,4-dimethylpentanoate
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methyl 3-amino-3-hydroxypropanoate;hydrochloride
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methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate
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methyl 3-hydroxybutanoate;methyl 3-(3-hydroxybutanoyloxy)pentanoate;methyl 3-hydroxypentanoate
CID 160689312
azane;methyl 3-methylbutanoate;hydrochloride
CID 175434492
3-hydroxy-N-methoxy-N-methylbutanamide
CID 73159357
methyl (3R)-3-hydroxy-5-methylhexanoate
CID 10920813
methyl 3-(1-hydroxyethyl)-5-methyl-4-methylidenehexanoate
CID 58226594
methyl (3R)-3-(phosphanylamino)butanoate
CID 59118777
methyl 3-(hydroxyamino)butanoate
CID 103282672
(2R)-4-methoxy-2-methyl-4-oxobutanoic acid
CID 6398856
methyl (3S)-4-amino-3-methyl-4-oxobutanoate
CID 146955402

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;methyl 3-hydroxybutanoate?
The IUPAC name of N,N-dimethylmethanamine;methyl 3-hydroxybutanoate (CID 174690053) is N,N-dimethylmethanamine;methyl 3-hydroxybutanoate.
What is the SMILES notation for N,N-dimethylmethanamine;methyl 3-hydroxybutanoate?
The canonical SMILES for N,N-dimethylmethanamine;methyl 3-hydroxybutanoate is CN(C)C.COC(=O)CC(C)O.
What is the InChIKey of N,N-dimethylmethanamine;methyl 3-hydroxybutanoate?
The InChIKey is HPAAPFHIXBUAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C3H9N/c1-4(6)3-5(7)8-2;1-4(2)3/h4,6H,3H2,1-2H3;1-3H3.
What are the key properties of N,N-dimethylmethanamine;methyl 3-hydroxybutanoate?
N,N-dimethylmethanamine;methyl 3-hydroxybutanoate has a molecular weight of 177.24 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;methyl 3-hydroxybutanoate is sourced from PubChem (CID 174690053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).