3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid

C14H26N2O3 — CID 43468748

IUPAC3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid
SMILESCC1CCC(NC(=O)CNC(C(=O)O)C(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-9(2)13(14(18)19)15-8-12(17)16-11-6-4-10(3)5-7-11/h9-11,13,15H,4-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyNBZAIIJKQDZQQS-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.38
Rot. Bonds6

About 3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid

3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid (PubChem CID 43468748) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid
PubChem CID43468748
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid
SMILESCC1CCC(NC(=O)CNC(C(=O)O)C(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-9(2)13(14(18)19)15-8-12(17)16-11-6-4-10(3)5-7-11/h9-11,13,15H,4-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyNBZAIIJKQDZQQS-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid with MolForge

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Related Compounds

2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468322
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914129
2-cyclopropyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 55107911
2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468758
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79391522
2-(methylamino)-N-(4-methylcyclohexyl)acetamide
CID 24706829
2-[[4-(cyclopropylamino)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 82042242
(3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide
CID 89423792
(2R)-2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoic acid
CID 83194051
N-cyclopropyl-2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetamide
CID 43568260
N-(4-methylcyclohexyl)-2-(propylamino)acetamide
CID 60671942
3-amino-N-(4-methylcyclohexyl)butanamide
CID 60835833

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid?
The IUPAC name of 3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid (CID 43468748) is 3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid is CC1CCC(NC(=O)CNC(C(=O)O)C(C)C)CC1.
What is the InChIKey of 3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid?
The InChIKey is NBZAIIJKQDZQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(2)13(14(18)19)15-8-12(17)16-11-6-4-10(3)5-7-11/h9-11,13,15H,4-8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid?
3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid is sourced from PubChem (CID 43468748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).