N,N-dimethylmethanamine;2-methylpentanedioic acid

C9H19NO4 — CID 174605031

IUPACN,N-dimethylmethanamine;2-methylpentanedioic acid
SMILESCC(CCC(=O)O)C(=O)O.CN(C)C
InChIInChI=1S/C6H10O4.C3H9N/c1-4(6(9)10)2-3-5(7)8;1-4(2)3/h4H,2-3H2,1H3,(H,7,8)(H,9,10);1-3H3
InChIKeyUDCWAKPCGWVICL-UHFFFAOYSA-N
MW205.25 g/mol
LogP0.75
Rot. Bonds4

About N,N-dimethylmethanamine;2-methylpentanedioic acid

N,N-dimethylmethanamine;2-methylpentanedioic acid (PubChem CID 174605031) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is N,N-dimethylmethanamine;2-methylpentanedioic acid.

Molecular Properties

Compound NameN,N-dimethylmethanamine;2-methylpentanedioic acid
PubChem CID174605031
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN,N-dimethylmethanamine;2-methylpentanedioic acid
SMILESCC(CCC(=O)O)C(=O)O.CN(C)C
InChIInChI=1S/C6H10O4.C3H9N/c1-4(6(9)10)2-3-5(7)8;1-4(2)3/h4H,2-3H2,1H3,(H,7,8)(H,9,10);1-3H3
InChIKeyUDCWAKPCGWVICL-UHFFFAOYSA-N
XLogP0.75
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

calcium;hydride;2-methylpentanedioic acid
CID 173414295
2-methylpentanedioic acid;3-methylpentanedioic acid
CID 159942344
(2R,4S)-2,4-dimethylheptanedioic acid
CID 177439281
2-methylhenicosanedioic acid
CID 21286141
(4R)-5-amino-4-methyl-5-oxopentanoic acid
CID 170269048
(4R)-4-(dimethylamino)pentanoic acid
CID 92669584
4-(dimethylamino)pentanoic acid
CID 18442969
2-ethylbutanedioic acid;2-methylbutanedioic acid;2-methylpentanedioic acid
CID 159000769
2-[(dimethylamino)methylamino]pentanedioic acid
CID 175015429
2-methylbutanedioic acid;2-methylbut-3-enoic acid;2-methylpentanedioic acid
CID 118196670
(2S)-2,5-dimethylhex-5-enoic acid
CID 94864508
(3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid
CID 91799587

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;2-methylpentanedioic acid?
The IUPAC name of N,N-dimethylmethanamine;2-methylpentanedioic acid (CID 174605031) is N,N-dimethylmethanamine;2-methylpentanedioic acid.
What is the SMILES notation for N,N-dimethylmethanamine;2-methylpentanedioic acid?
The canonical SMILES for N,N-dimethylmethanamine;2-methylpentanedioic acid is CC(CCC(=O)O)C(=O)O.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;2-methylpentanedioic acid?
The InChIKey is UDCWAKPCGWVICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.C3H9N/c1-4(6(9)10)2-3-5(7)8;1-4(2)3/h4H,2-3H2,1H3,(H,7,8)(H,9,10);1-3H3.
What are the key properties of N,N-dimethylmethanamine;2-methylpentanedioic acid?
N,N-dimethylmethanamine;2-methylpentanedioic acid has a molecular weight of 205.25 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;2-methylpentanedioic acid is sourced from PubChem (CID 174605031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).