3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid

C11H20N2O3 — CID 62628133

IUPAC3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)CCC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(11(15)16)7-13(2)6-5-10(14)12-9-3-4-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyHSDGNQQYSMLZFL-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.31
Rot. Bonds7

About 3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid

3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid (PubChem CID 62628133) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid
PubChem CID62628133
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)CCC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(11(15)16)7-13(2)6-5-10(14)12-9-3-4-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyHSDGNQQYSMLZFL-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[2-hydroxypropyl(methyl)amino]propanamide
CID 62627967
3-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]-2-methylpropanoic acid
CID 62852222
2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637395
(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
CID 2200165
2-[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]acetic acid
CID 43442622
3-[4-aminobutan-2-yl(methyl)amino]-N-cyclopropylpropanamide
CID 63225816
N-cyclopropyl-4-(dimethylamino)butanamide
CID 66617173
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid
CID 55007305
3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
CID 62853862
3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 55007231
N,N'-dicyclopropylbutanediamide
CID 5225156
2-[[4-(cyclopropylamino)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 82042242

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid (CID 62628133) is 3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid is CC(CN(C)CCC(=O)NC1CC1)C(=O)O.
What is the InChIKey of 3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is HSDGNQQYSMLZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(11(15)16)7-13(2)6-5-10(14)12-9-3-4-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid?
3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62628133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).