3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid

C16H30N2O3 — CID 60839878

IUPAC3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
SMILESCC(C)CN(CC(C)C)C(=O)CN(CCC(=O)O)C1CC1
InChIInChI=1S/C16H30N2O3/c1-12(2)9-18(10-13(3)4)15(19)11-17(14-5-6-14)8-7-16(20)21/h12-14H,5-11H2,1-4H3,(H,20,21)
InChIKeyOABDDQCGFNCNEX-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.07
Rot. Bonds10

About 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid

3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid (PubChem CID 60839878) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
PubChem CID60839878
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
SMILESCC(C)CN(CC(C)C)C(=O)CN(CCC(=O)O)C1CC1
InChIInChI=1S/C16H30N2O3/c1-12(2)9-18(10-13(3)4)15(19)11-17(14-5-6-14)8-7-16(20)21/h12-14H,5-11H2,1-4H3,(H,20,21)
InChIKeyOABDDQCGFNCNEX-UHFFFAOYSA-N
XLogP2.07
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid
CID 60833387
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 54926123
3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911794
3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
CID 82328845
3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 60839716
3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid
CID 82329735
3-[cyclopropyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]propanoic acid
CID 54925563
3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid
CID 60839363
3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
CID 82329101
3-[2-carboxyethyl(cyclohexyl)amino]-2-methylpropanoic acid
CID 82329250
3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid
CID 60839017

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid (CID 60839878) is 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid is CC(C)CN(CC(C)C)C(=O)CN(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid?
The InChIKey is OABDDQCGFNCNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(2)9-18(10-13(3)4)15(19)11-17(14-5-6-14)8-7-16(20)21/h12-14H,5-11H2,1-4H3,(H,20,21).
What are the key properties of 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid?
3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid has a molecular weight of 298.43 g/mol, XLogP of 2.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid is sourced from PubChem (CID 60839878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).