2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid

C15H28N2O3 — CID 62697339

IUPAC2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESCC(C)CN(CC(C)C)C(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C15H28N2O3/c1-10(2)8-17(9-11(3)4)13(18)7-16-14(15(19)20)12-5-6-12/h10-12,14,16H,5-9H2,1-4H3,(H,19,20)
InChIKeyDBSBDUPURCYPFX-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.58
Rot. Bonds9

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

2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid (PubChem CID 62697339) 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]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
PubChem CID62697339
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESCC(C)CN(CC(C)C)C(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C15H28N2O3/c1-10(2)8-17(9-11(3)4)13(18)7-16-14(15(19)20)12-5-6-12/h10-12,14,16H,5-9H2,1-4H3,(H,19,20)
InChIKeyDBSBDUPURCYPFX-UHFFFAOYSA-N
XLogP1.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697513
2-cyclopropyl-2-[2-(dimethylamino)propylamino]acetic acid
CID 103245185
2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid
CID 62695608
2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid
CID 103254407
2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic acid
CID 62711229
2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 61197769
2-cyclopropyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 55107911
2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 62696389
2-cyclopropyl-2-(2-ethoxypropylamino)acetic acid
CID 103265947
2-cyclopropyl-2-[[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 62694873
2-cyclopropyl-2-(ethoxyamino)acetic acid
CID 103254508
2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid
CID 114473160

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid (CID 62697339) is 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid is CC(C)CN(CC(C)C)C(=O)CNC(C(=O)O)C1CC1.
What is the InChIKey of 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The InChIKey is DBSBDUPURCYPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(2)8-17(9-11(3)4)13(18)7-16-14(15(19)20)12-5-6-12/h10-12,14,16H,5-9H2,1-4H3,(H,19,20).
What are the key properties of 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid?
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid has a molecular weight of 284.40 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 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]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62697339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).