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

C15H28N2O3 — CID 60833387

IUPAC2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid
SMILESCC(C)CN(CC(C)C)C(=O)CN(CC(=O)O)C1CC1
InChIInChI=1S/C15H28N2O3/c1-11(2)7-17(8-12(3)4)14(18)9-16(10-15(19)20)13-5-6-13/h11-13H,5-10H2,1-4H3,(H,19,20)
InChIKeyVMMZBECWVYHMAK-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.68
Rot. Bonds9

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

2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid (PubChem CID 60833387) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid
PubChem CID60833387
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid
SMILESCC(C)CN(CC(C)C)C(=O)CN(CC(=O)O)C1CC1
InChIInChI=1S/C15H28N2O3/c1-11(2)7-17(8-12(3)4)14(18)9-16(10-15(19)20)13-5-6-13/h11-13H,5-10H2,1-4H3,(H,19,20)
InChIKeyVMMZBECWVYHMAK-UHFFFAOYSA-N
XLogP1.68
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60839878
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63645438
3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid
CID 82327511
2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 54945400
2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]acetic acid
CID 65063962
2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid
CID 65064148
2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 54957297
2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid
CID 65094431
2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
CID 60834611
2-[(2-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid
CID 65064207
2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid
CID 57287065

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid (CID 60833387) is 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid is CC(C)CN(CC(C)C)C(=O)CN(CC(=O)O)C1CC1.
What is the InChIKey of 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid?
The InChIKey is VMMZBECWVYHMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)7-17(8-12(3)4)14(18)9-16(10-15(19)20)13-5-6-13/h11-13H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid?
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid has a molecular weight of 284.40 g/mol, XLogP of 1.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 60833387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).