3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid

C9H18N2O3 — CID 106916227

IUPAC3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
SMILESCNC(=O)CCN(C)C(C)CC(=O)O
InChIInChI=1S/C9H18N2O3/c1-7(6-9(13)14)11(3)5-4-8(12)10-2/h7H,4-6H2,1-3H3,(H,10,12)(H,13,14)
InChIKeySOGOFHNODYFIOJ-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.08
Rot. Bonds6

About 3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid

3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid (PubChem CID 106916227) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
PubChem CID106916227
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
SMILESCNC(=O)CCN(C)C(C)CC(=O)O
InChIInChI=1S/C9H18N2O3/c1-7(6-9(13)14)11(3)5-4-8(12)10-2/h7H,4-6H2,1-3H3,(H,10,12)(H,13,14)
InChIKeySOGOFHNODYFIOJ-UHFFFAOYSA-N
XLogP-0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916209
3-[ethyl-[4-(methylamino)-4-oxobutyl]amino]butanoic acid
CID 63892314
3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide
CID 62324423
4-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylbutanamide
CID 63889932
3-[3-(dimethylamino)propyl-methylamino]butanoic acid
CID 63693695
3-[methyl(pentyl)amino]butanoic acid
CID 43537465
4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide
CID 104556890
3-[methyl(2-methylpropyl)amino]butanoic acid
CID 43537457
3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid
CID 62827512
2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 106914932
3-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3-oxopropanoic acid
CID 62232320
2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide
CID 60913837

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid?
The IUPAC name of 3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid (CID 106916227) is 3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid.
What is the SMILES notation for 3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid?
The canonical SMILES for 3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid is CNC(=O)CCN(C)C(C)CC(=O)O.
What is the InChIKey of 3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid?
The InChIKey is SOGOFHNODYFIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7(6-9(13)14)11(3)5-4-8(12)10-2/h7H,4-6H2,1-3H3,(H,10,12)(H,13,14).
What are the key properties of 3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid?
3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid is sourced from PubChem (CID 106916227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).