3-[[2-(cyclopropylmethylamino)-2-oxoethyl]-ethylamino]propanoic acid

C11H20N2O3 — CID 61010924

IUPAC3-[[2-(cyclopropylmethylamino)-2-oxoethyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)CC(=O)NCC1CC1
InChIInChI=1S/C11H20N2O3/c1-2-13(6-5-11(15)16)8-10(14)12-7-9-3-4-9/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyLTQMODUXTIGKOW-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.31
Rot. Bonds8

About 3-[[2-(cyclopropylmethylamino)-2-oxoethyl]-ethylamino]propanoic acid

3-[[2-(cyclopropylmethylamino)-2-oxoethyl]-ethylamino]propanoic acid (PubChem CID 61010924) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[[2-(cyclopropylmethylamino)-2-oxoethyl]-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(cyclopropylmethylamino)-2-oxoethyl]-ethylamino]propanoic acid
PubChem CID61010924
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[[2-(cyclopropylmethylamino)-2-oxoethyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)CC(=O)NCC1CC1
InChIInChI=1S/C11H20N2O3/c1-2-13(6-5-11(15)16)8-10(14)12-7-9-3-4-9/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyLTQMODUXTIGKOW-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

2-[benzyl(ethyl)amino]-N-(cyclopropylmethyl)acetamide
CID 134038287
N-(cyclohexylmethyl)-2-(dipropylamino)acetamide
CID 55437784
2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid
CID 62627778
3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid
CID 119911752
2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid
CID 43135716
3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
CID 61010939
5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 63243932
2-(diethylamino)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460245
N-(cyclopropylmethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107485234
3-[ethyl(oxan-4-ylmethyl)amino]propanoic acid
CID 62386265
2-[2-(azetidin-3-yl)ethyl-ethylamino]-N-ethylacetamide
CID 107390894
N-(cyclopropylmethyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60806815

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylmethylamino)-2-oxoethyl]-ethylamino]propanoic acid?
The IUPAC name of 3-[[2-(cyclopropylmethylamino)-2-oxoethyl]-ethylamino]propanoic acid (CID 61010924) is 3-[[2-(cyclopropylmethylamino)-2-oxoethyl]-ethylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(cyclopropylmethylamino)-2-oxoethyl]-ethylamino]propanoic acid?
The canonical SMILES for 3-[[2-(cyclopropylmethylamino)-2-oxoethyl]-ethylamino]propanoic acid is CCN(CCC(=O)O)CC(=O)NCC1CC1.
What is the InChIKey of 3-[[2-(cyclopropylmethylamino)-2-oxoethyl]-ethylamino]propanoic acid?
The InChIKey is LTQMODUXTIGKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-13(6-5-11(15)16)8-10(14)12-7-9-3-4-9/h9H,2-8H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-[[2-(cyclopropylmethylamino)-2-oxoethyl]-ethylamino]propanoic acid?
3-[[2-(cyclopropylmethylamino)-2-oxoethyl]-ethylamino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylmethylamino)-2-oxoethyl]-ethylamino]propanoic acid is sourced from PubChem (CID 61010924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).