cyclobutyl 2-formamidoacetate;3-methylbutan-2-amine

C12H24N2O3 — CID 178083368

IUPACcyclobutyl 2-formamidoacetate;3-methylbutan-2-amine
SMILESCC(C)C(C)N.O=CNCC(=O)OC1CCC1
InChIInChI=1S/C7H11NO3.C5H13N/c9-5-8-4-7(10)11-6-2-1-3-6;1-4(2)5(3)6/h5-6H,1-4H2,(H,8,9);4-5H,6H2,1-3H3
InChIKeyDIQXJGVAYMMABD-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.82
Rot. Bonds5

About cyclobutyl 2-formamidoacetate;3-methylbutan-2-amine

cyclobutyl 2-formamidoacetate;3-methylbutan-2-amine (PubChem CID 178083368) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is cyclobutyl 2-formamidoacetate;3-methylbutan-2-amine.

Molecular Properties

Compound Namecyclobutyl 2-formamidoacetate;3-methylbutan-2-amine
PubChem CID178083368
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namecyclobutyl 2-formamidoacetate;3-methylbutan-2-amine
SMILESCC(C)C(C)N.O=CNCC(=O)OC1CCC1
InChIInChI=1S/C7H11NO3.C5H13N/c9-5-8-4-7(10)11-6-2-1-3-6;1-4(2)5(3)6/h5-6H,1-4H2,(H,8,9);4-5H,6H2,1-3H3
InChIKeyDIQXJGVAYMMABD-UHFFFAOYSA-N
XLogP0.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopentyl 2-(propan-2-ylamino)acetate
CID 45098593
cyclobutyl 2-(2,2,2-trifluoroethylamino)acetate
CID 79257875
cyclobutyl (2S)-2-aminopropanoate
CID 45086620
cyclobutyl 2-[[2-[(2-formamido-3-phenylpropanoyl)amino]-3-methylbutanoyl]amino]acetate
CID 178083376
(3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate
CID 107437046
cyclobutyl 2,3-dimethylpentanoate
CID 174713613
4-O-cyclobutyl 1-O-ethyl butanedioate
CID 91702391
cyclobutyl 2-(4-methylanilino)acetate
CID 62217583
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
(3-ethylcyclohexyl) (2R)-2-aminopropanoate
CID 78967083
cyclohexyl 3-chlorobutanoate
CID 19736706
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 2-formamidoacetate;3-methylbutan-2-amine?
The IUPAC name of cyclobutyl 2-formamidoacetate;3-methylbutan-2-amine (CID 178083368) is cyclobutyl 2-formamidoacetate;3-methylbutan-2-amine.
What is the SMILES notation for cyclobutyl 2-formamidoacetate;3-methylbutan-2-amine?
The canonical SMILES for cyclobutyl 2-formamidoacetate;3-methylbutan-2-amine is CC(C)C(C)N.O=CNCC(=O)OC1CCC1.
What is the InChIKey of cyclobutyl 2-formamidoacetate;3-methylbutan-2-amine?
The InChIKey is DIQXJGVAYMMABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3.C5H13N/c9-5-8-4-7(10)11-6-2-1-3-6;1-4(2)5(3)6/h5-6H,1-4H2,(H,8,9);4-5H,6H2,1-3H3.
What are the key properties of cyclobutyl 2-formamidoacetate;3-methylbutan-2-amine?
cyclobutyl 2-formamidoacetate;3-methylbutan-2-amine has a molecular weight of 244.33 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 2-formamidoacetate;3-methylbutan-2-amine is sourced from PubChem (CID 178083368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).