cyclohexyl 2,4-diamino-4-oxobutanoate

C10H18N2O3 — CID 22005850

IUPACcyclohexyl 2,4-diamino-4-oxobutanoate
SMILESNC(=O)CC(N)C(=O)OC1CCCCC1
InChIInChI=1S/C10H18N2O3/c11-8(6-9(12)13)10(14)15-7-4-2-1-3-5-7/h7-8H,1-6,11H2,(H2,12,13)
InChIKeyFYHAJZVZZNBYFL-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.06
Rot. Bonds4

About cyclohexyl 2,4-diamino-4-oxobutanoate

cyclohexyl 2,4-diamino-4-oxobutanoate (PubChem CID 22005850) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is cyclohexyl 2,4-diamino-4-oxobutanoate.

Molecular Properties

Compound Namecyclohexyl 2,4-diamino-4-oxobutanoate
PubChem CID22005850
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namecyclohexyl 2,4-diamino-4-oxobutanoate
SMILESNC(=O)CC(N)C(=O)OC1CCCCC1
InChIInChI=1S/C10H18N2O3/c11-8(6-9(12)13)10(14)15-7-4-2-1-3-5-7/h7-8H,1-6,11H2,(H2,12,13)
InChIKeyFYHAJZVZZNBYFL-UHFFFAOYSA-N
XLogP0.06
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dicyclohexyl 2-aminobutanedioate chloride
CID 53312802
cyclopentyl 2-amino-3-hydroxypropanoate
CID 61279213
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
cyclohexyl (3S)-3,4-diamino-4-oxobutanoate
CID 101247028
cyclopentyl 2-aminobutanoate;hydrochloride
CID 175315314
cyclopentyl 2-aminobutanoate;molecular hydrogen
CID 143574438
cyclopentyl 2-aminopentanoate
CID 61278203
cyclopentyl (2S)-2-amino-3-methoxypropanoate
CID 122538889
cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 54480153
cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909691
tetracyclohexyl butane-1,2,3,4-tetracarboxylate
CID 91735158
cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 67692396

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2,4-diamino-4-oxobutanoate?
The IUPAC name of cyclohexyl 2,4-diamino-4-oxobutanoate (CID 22005850) is cyclohexyl 2,4-diamino-4-oxobutanoate.
What is the SMILES notation for cyclohexyl 2,4-diamino-4-oxobutanoate?
The canonical SMILES for cyclohexyl 2,4-diamino-4-oxobutanoate is NC(=O)CC(N)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2,4-diamino-4-oxobutanoate?
The InChIKey is FYHAJZVZZNBYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c11-8(6-9(12)13)10(14)15-7-4-2-1-3-5-7/h7-8H,1-6,11H2,(H2,12,13).
What are the key properties of cyclohexyl 2,4-diamino-4-oxobutanoate?
cyclohexyl 2,4-diamino-4-oxobutanoate has a molecular weight of 214.26 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2,4-diamino-4-oxobutanoate is sourced from PubChem (CID 22005850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).