2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid

C13H24N2O3 — CID 43468322

IUPAC2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NCC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(2)12(13(17)18)14-8-11(16)15-10-6-4-3-5-7-10/h9-10,12,14H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySGFAPTVKFKUWLR-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.13
Rot. Bonds6

About 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid

2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid (PubChem CID 43468322) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
PubChem CID43468322
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NCC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(2)12(13(17)18)14-8-11(16)15-10-6-4-3-5-7-10/h9-10,12,14H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySGFAPTVKFKUWLR-UHFFFAOYSA-N
XLogP1.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43468748
(2R)-2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoic acid
CID 83194051
(2S)-4-(cyclohexylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 58938741
N-cycloheptyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 62573821
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914129
N-cyclohexyl-2-[(1-hydroxy-4-methylpentan-3-yl)amino]acetamide
CID 104892038
2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468758
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
(2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid
CID 2050014
2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide
CID 114416819
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate
CID 60691118
N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 54952745

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid?
The IUPAC name of 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid (CID 43468322) is 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid is CC(C)C(NCC(=O)NC1CCCCC1)C(=O)O.
What is the InChIKey of 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid?
The InChIKey is SGFAPTVKFKUWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)12(13(17)18)14-8-11(16)15-10-6-4-3-5-7-10/h9-10,12,14H,3-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid?
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 43468322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).