methyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate

C10H17NO4 — CID 10081997

IUPACmethyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCOC(=O)NC1(C(=O)OC)CC1(C)C
InChIInChI=1S/C10H17NO4/c1-5-15-8(13)11-10(7(12)14-4)6-9(10,2)3/h5-6H2,1-4H3,(H,11,13)
InChIKeyPPSSQYSFJCCACI-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.07
Rot. Bonds3

About methyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate

methyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 10081997) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID10081997
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCOC(=O)NC1(C(=O)OC)CC1(C)C
InChIInChI=1S/C10H17NO4/c1-5-15-8(13)11-10(7(12)14-4)6-9(10,2)3/h5-6H2,1-4H3,(H,11,13)
InChIKeyPPSSQYSFJCCACI-UHFFFAOYSA-N
XLogP1.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate
CID 116842789
ethyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate
CID 104701385
ethyl N-(1-methylcyclopropyl)carbamate;fluorocyclopentane
CID 169143693
ethyl 2,2-dimethyl-1-[[(4-methylbenzoyl)amino]carbamoylamino]cyclopropane-1-carboxylate
CID 50906228
methyl 1,2,2-trimethylcyclopropane-1-carboxylate
CID 15129471
methyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate
CID 141020138
ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate
CID 53399515
1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 24699851
1-ethoxycarbonyl-2,2-dimethylcyclopropane-1-carboxylate
CID 71406242
ethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate
CID 114632504
2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid
CID 79845201
1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435935

Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate (CID 10081997) is methyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate is CCOC(=O)NC1(C(=O)OC)CC1(C)C.
What is the InChIKey of methyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is PPSSQYSFJCCACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-5-15-8(13)11-10(7(12)14-4)6-9(10,2)3/h5-6H2,1-4H3,(H,11,13).
What are the key properties of methyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate?
methyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 10081997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).