methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid

C14H40N2O3 — CID 160853020

IUPACmethane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid
SMILESC.C.C.C.C.C.CNCC(=O)C(CNC)CC(=O)O
InChIInChI=1S/C8H16N2O3.6CH4/c1-9-4-6(3-8(12)13)7(11)5-10-2;;;;;;/h6,9-10H,3-5H2,1-2H3,(H,12,13);6*1H4
InChIKeySJMVYXZUKLBGBT-UHFFFAOYSA-N
MW284.49 g/mol
LogP2.90
Rot. Bonds7

About methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid

methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid (PubChem CID 160853020) has the molecular formula C14H40N2O3 and a molecular weight of 284.49 g/mol. Its IUPAC name is methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid.

Molecular Properties

Compound Namemethane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid
PubChem CID160853020
Molecular FormulaC14H40N2O3
Molecular Weight284.49 g/mol
Exact Mass284.30
IUPAC Namemethane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid
SMILESC.C.C.C.C.C.CNCC(=O)C(CNC)CC(=O)O
InChIInChI=1S/C8H16N2O3.6CH4/c1-9-4-6(3-8(12)13)7(11)5-10-2;;;;;;/h6,9-10H,3-5H2,1-2H3,(H,12,13);6*1H4
InChIKeySJMVYXZUKLBGBT-UHFFFAOYSA-N
XLogP2.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid
CID 157195550
2-(methylaminomethyl)butanedioic acid
CID 84651177
4-amino-2-(methylaminomethyl)-4-oxobutanoic acid
CID 89475350
3-acetylpentanedioic acid
CID 19838981
tripotassium;hydride;2-(methylamino)acetic acid
CID 174232708
4-hydroxy-2-(methylaminomethyl)butanoic acid
CID 117236956
(3R)-3-(methylamino)butanoic acid;hydrochloride
CID 146082386
3-(methylaminomethyl)heptan-4-one
CID 116923839
acetic acid;2-(methylamino)acetic acid;hydrochloride
CID 175814276
3-(hydroxymethyl)-4-(methylamino)butan-2-one
CID 59279741
potassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;2-(methylamino)acetic acid
CID 87238966
(2S)-2-ethylbutanedioic acid
CID 6997245

Frequently Asked Questions

What is the IUPAC name of methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid?
The IUPAC name of methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid (CID 160853020) is methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid.
What is the SMILES notation for methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid?
The canonical SMILES for methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid is C.C.C.C.C.C.CNCC(=O)C(CNC)CC(=O)O.
What is the InChIKey of methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid?
The InChIKey is SJMVYXZUKLBGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3.6CH4/c1-9-4-6(3-8(12)13)7(11)5-10-2;;;;;;/h6,9-10H,3-5H2,1-2H3,(H,12,13);6*1H4.
What are the key properties of methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid?
methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid has a molecular weight of 284.49 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid is sourced from PubChem (CID 160853020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).