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

C12H22N2O3 — CID 62852222

IUPAC3-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CCC(=O)NC1CC1)CC(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-14(8-9(2)12(16)17)7-6-11(15)13-10-4-5-10/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeySJKAXSVSDGJBFG-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.70
Rot. Bonds8

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

3-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 62852222) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]-2-methylpropanoic acid
PubChem CID62852222
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CCC(=O)NC1CC1)CC(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-14(8-9(2)12(16)17)7-6-11(15)13-10-4-5-10/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeySJKAXSVSDGJBFG-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid
CID 62628133
2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid
CID 62627778
3-[2-aminoethyl(ethyl)amino]-N-cyclopropylpropanamide
CID 62626817
3-[ethyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]-2-methylpropanoic acid
CID 55123155
3-[2-carboxyethyl-[2-(diethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82329266
2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637395
3-[ethyl(propyl)amino]-2-methylpropanoic acid
CID 43538770
N-cyclopropyl-3-[2-hydroxypropyl(methyl)amino]propanamide
CID 62627967
3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
CID 62853862
N-cyclopropyl-3-[2-(diethylamino)ethylamino]propanamide
CID 62627556
(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
CID 2200165
3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid
CID 82330638

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]-2-methylpropanoic acid (CID 62852222) is 3-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]-2-methylpropanoic acid is CCN(CCC(=O)NC1CC1)CC(C)C(=O)O.
What is the InChIKey of 3-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is SJKAXSVSDGJBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-14(8-9(2)12(16)17)7-6-11(15)13-10-4-5-10/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 3-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]-2-methylpropanoic acid?
3-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.70, 8 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]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62852222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).