2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid

C15H26N2O3 — CID 122083126

IUPAC2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(CC(=O)N(C)C1CCCCC1)C1CC1
InChIInChI=1S/C15H26N2O3/c1-11(15(19)20)17(13-8-9-13)10-14(18)16(2)12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H,19,20)
InChIKeyUOIAKMCXVZWJCI-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.72
Rot. Bonds6

About 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid

2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid (PubChem CID 122083126) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
PubChem CID122083126
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(CC(=O)N(C)C1CCCCC1)C1CC1
InChIInChI=1S/C15H26N2O3/c1-11(15(19)20)17(13-8-9-13)10-14(18)16(2)12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H,19,20)
InChIKeyUOIAKMCXVZWJCI-UHFFFAOYSA-N
XLogP1.72
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid
CID 122082922
2-[cyclopropyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid
CID 122083036
2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63066641
2-[[cycloheptyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62638480
2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 54957297
2-[cyclohexyl(methyl)amino]propanoic acid
CID 22906743
2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylpropanamide
CID 54873302
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60964179
N-cycloheptyl-2-hydroxy-N-methylacetamide
CID 130678772
N-cyclohexyl-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 60774513
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-2-(methylamino)propanamide
CID 62638065
(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide
CID 61163036

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid?
The IUPAC name of 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid (CID 122083126) is 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid.
What is the SMILES notation for 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid?
The canonical SMILES for 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid is CC(C(=O)O)N(CC(=O)N(C)C1CCCCC1)C1CC1.
What is the InChIKey of 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid?
The InChIKey is UOIAKMCXVZWJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(15(19)20)17(13-8-9-13)10-14(18)16(2)12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid?
2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid has a molecular weight of 282.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid is sourced from PubChem (CID 122083126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).