methyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate

C10H19NO2 — CID 115016947

IUPACmethyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(N)CC(C)C)CC1
InChIInChI=1S/C10H19NO2/c1-7(2)6-8(11)10(4-5-10)9(12)13-3/h7-8H,4-6,11H2,1-3H3
InChIKeyVCHLWTSSSJLKNR-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.31
Rot. Bonds4

About methyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate

methyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate (PubChem CID 115016947) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate
PubChem CID115016947
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(N)CC(C)C)CC1
InChIInChI=1S/C10H19NO2/c1-7(2)6-8(11)10(4-5-10)9(12)13-3/h7-8H,4-6,11H2,1-3H3
InChIKeyVCHLWTSSSJLKNR-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[3-methyl-1-(methylamino)butyl]cyclopropane-1-carboxylate
CID 116959146
methyl 1-propan-2-ylcyclopropane-1-carboxylate
CID 59734384
methyl 1-(1-aminoethyl)cyclobutane-1-carboxylate
CID 115012255
methyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate
CID 115020911
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
dimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate
CID 91799029
methyl 1-[1-(dimethylamino)propyl]cyclopropane-1-carboxylate
CID 116912747
1-(1-methoxycyclobutyl)-3-methylbutan-1-amine
CID 116713868
2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentanamide
CID 103950711
N-(2-amino-4-methylpentyl)-2-(1-methoxycyclobutyl)acetamide
CID 107158751
methyl 1-(2-methylpropyl)cyclohexane-1-carboxylate
CID 125474845
methyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate
CID 116944350

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate (CID 115016947) is methyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate is COC(=O)C1(C(N)CC(C)C)CC1.
What is the InChIKey of methyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate?
The InChIKey is VCHLWTSSSJLKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)6-8(11)10(4-5-10)9(12)13-3/h7-8H,4-6,11H2,1-3H3.
What are the key properties of methyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate?
methyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 115016947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).