cyclohexyl (3S)-3,4-diamino-4-oxobutanoate

C10H18N2O3 — CID 101247028

IUPACcyclohexyl (3S)-3,4-diamino-4-oxobutanoate
SMILESNC(=O)[C@@H](N)CC(=O)OC1CCCCC1
InChIInChI=1S/C10H18N2O3/c11-8(10(12)14)6-9(13)15-7-4-2-1-3-5-7/h7-8H,1-6,11H2,(H2,12,14)/t8-/m0/s1
InChIKeyZORUFRAFJZTSKY-QMMMGPOBSA-N
MW214.26 g/mol
LogP0.06
Rot. Bonds4

About cyclohexyl (3S)-3,4-diamino-4-oxobutanoate

cyclohexyl (3S)-3,4-diamino-4-oxobutanoate (PubChem CID 101247028) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is cyclohexyl (3S)-3,4-diamino-4-oxobutanoate.

Molecular Properties

Compound Namecyclohexyl (3S)-3,4-diamino-4-oxobutanoate
PubChem CID101247028
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namecyclohexyl (3S)-3,4-diamino-4-oxobutanoate
SMILESNC(=O)[C@@H](N)CC(=O)OC1CCCCC1
InChIInChI=1S/C10H18N2O3/c11-8(10(12)14)6-9(13)15-7-4-2-1-3-5-7/h7-8H,1-6,11H2,(H2,12,14)/t8-/m0/s1
InChIKeyZORUFRAFJZTSKY-QMMMGPOBSA-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
tetracyclohexyl butane-1,2,3,4-tetracarboxylate
CID 91735158
cyclohexyl 2,4-diamino-4-oxobutanoate
CID 22005850
cyclohexyl 3-chlorobutanoate
CID 19736706
cyclopentyl 4-hydroxy-3-(hydroxymethyl)butanoate
CID 156726795
cyclohexyl 3-cyclohexylbutanoate
CID 129263985
2-amino-4-cycloheptyloxybutanamide
CID 63039802
cyclohexyl 2-aminoacetate;hydrochloride
CID 14180607
cyclopentyl 2-amino-3-hydroxypropanoate
CID 61279213
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
dicyclohexyl pentanedioate
CID 15593941
acetamide;cyclopentyl propanoate
CID 143322096

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (3S)-3,4-diamino-4-oxobutanoate?
The IUPAC name of cyclohexyl (3S)-3,4-diamino-4-oxobutanoate (CID 101247028) is cyclohexyl (3S)-3,4-diamino-4-oxobutanoate.
What is the SMILES notation for cyclohexyl (3S)-3,4-diamino-4-oxobutanoate?
The canonical SMILES for cyclohexyl (3S)-3,4-diamino-4-oxobutanoate is NC(=O)[C@@H](N)CC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl (3S)-3,4-diamino-4-oxobutanoate?
The InChIKey is ZORUFRAFJZTSKY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O3/c11-8(10(12)14)6-9(13)15-7-4-2-1-3-5-7/h7-8H,1-6,11H2,(H2,12,14)/t8-/m0/s1.
What are the key properties of cyclohexyl (3S)-3,4-diamino-4-oxobutanoate?
cyclohexyl (3S)-3,4-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 (3S)-3,4-diamino-4-oxobutanoate is sourced from PubChem (CID 101247028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).