methyl 2-amino-6-[(3-oxocyclobutanecarbonyl)amino]hexanoate

C12H20N2O4 — CID 67365579

IUPACmethyl 2-amino-6-[(3-oxocyclobutanecarbonyl)amino]hexanoate
SMILESCOC(=O)C(N)CCCCNC(=O)C1CC(=O)C1
InChIInChI=1S/C12H20N2O4/c1-18-12(17)10(13)4-2-3-5-14-11(16)8-6-9(15)7-8/h8,10H,2-7,13H2,1H3,(H,14,16)
InChIKeyGICTURBHFUKHRW-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.25
Rot. Bonds7

About methyl 2-amino-6-[(3-oxocyclobutanecarbonyl)amino]hexanoate

methyl 2-amino-6-[(3-oxocyclobutanecarbonyl)amino]hexanoate (PubChem CID 67365579) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 2-amino-6-[(3-oxocyclobutanecarbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-amino-6-[(3-oxocyclobutanecarbonyl)amino]hexanoate
PubChem CID67365579
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Namemethyl 2-amino-6-[(3-oxocyclobutanecarbonyl)amino]hexanoate
SMILESCOC(=O)C(N)CCCCNC(=O)C1CC(=O)C1
InChIInChI=1S/C12H20N2O4/c1-18-12(17)10(13)4-2-3-5-14-11(16)8-6-9(15)7-8/h8,10H,2-7,13H2,1H3,(H,14,16)
InChIKeyGICTURBHFUKHRW-UHFFFAOYSA-N
XLogP-0.25
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate
CID 132961566
methyl (2S)-2-amino-6-[(2,2-dichloroacetyl)amino]hexanoate
CID 132968892
methyl (2S)-2-amino-6-(carbamothioylamino)hexanoate
CID 10420982
tert-butyl (2S)-2-[[(5S)-5-amino-6-methoxy-6-oxohexyl]carbamoyl]pyrrolidine-1-carboxylate
CID 11057426
2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane
CID 177180760
methyl (2R)-2-amino-6-hydroxyhexanoate
CID 129365766
methyl (2S)-2-amino-6-[(2-azidoacetyl)amino]hexanoate
CID 118655343
methyl (2S)-2-aminotridecanoate
CID 88583666
methyl 2-aminononadecanoate
CID 140839745
methyl 2-aminoheptadecanoate
CID 140839752
methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 71250242
methyl (2S)-2-aminohexanoate
CID 7018840

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-[(3-oxocyclobutanecarbonyl)amino]hexanoate?
The IUPAC name of methyl 2-amino-6-[(3-oxocyclobutanecarbonyl)amino]hexanoate (CID 67365579) is methyl 2-amino-6-[(3-oxocyclobutanecarbonyl)amino]hexanoate.
What is the SMILES notation for methyl 2-amino-6-[(3-oxocyclobutanecarbonyl)amino]hexanoate?
The canonical SMILES for methyl 2-amino-6-[(3-oxocyclobutanecarbonyl)amino]hexanoate is COC(=O)C(N)CCCCNC(=O)C1CC(=O)C1.
What is the InChIKey of methyl 2-amino-6-[(3-oxocyclobutanecarbonyl)amino]hexanoate?
The InChIKey is GICTURBHFUKHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-18-12(17)10(13)4-2-3-5-14-11(16)8-6-9(15)7-8/h8,10H,2-7,13H2,1H3,(H,14,16).
What are the key properties of methyl 2-amino-6-[(3-oxocyclobutanecarbonyl)amino]hexanoate?
methyl 2-amino-6-[(3-oxocyclobutanecarbonyl)amino]hexanoate has a molecular weight of 256.30 g/mol, XLogP of -0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-[(3-oxocyclobutanecarbonyl)amino]hexanoate is sourced from PubChem (CID 67365579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).