ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate

C10H19NO3 — CID 143630049

IUPACethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate
SMILESCC.COC(=O)NC(C(C)=O)C1CC1
InChIInChI=1S/C8H13NO3.C2H6/c1-5(10)7(6-3-4-6)9-8(11)12-2;1-2/h6-7H,3-4H2,1-2H3,(H,9,11);1-2H3
InChIKeyKMSCQBCMSOWDNI-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.74
Rot. Bonds3

About ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate

ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate (PubChem CID 143630049) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate.

Molecular Properties

Compound Nameethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate
PubChem CID143630049
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate
SMILESCC.COC(=O)NC(C(C)=O)C1CC1
InChIInChI=1S/C8H13NO3.C2H6/c1-5(10)7(6-3-4-6)9-8(11)12-2;1-2/h6-7H,3-4H2,1-2H3,(H,9,11);1-2H3
InChIKeyKMSCQBCMSOWDNI-UHFFFAOYSA-N
XLogP1.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[1-[(3R,4S)-3,4-dimethylcyclopentyl]-2-oxopropyl]carbamate
CID 126547608
methyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate
CID 118066650
methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
CID 126658283
methyl N-[(1S)-1-cyclopropyl-3-methylsulfanyl-2-oxobutyl]carbamate
CID 158475733
methyl 2-acetamido-2-cyclopropylacetate
CID 121215489
methyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 123481327
methyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate
CID 59470809
methyl N-(1-cyclopropyl-2-hydroxypropyl)carbamate
CID 126707476
methyl N-[(1S)-1-cyclohexyl-4-methyl-2-oxopentyl]carbamate
CID 161131718
methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate
CID 141363764
S-sulfanyl 2-(methoxycarbonylamino)-2-(oxan-4-yl)ethanethioate
CID 123667070
methyl N-[1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 68574299

Frequently Asked Questions

What is the IUPAC name of ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate?
The IUPAC name of ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate (CID 143630049) is ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate.
What is the SMILES notation for ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate?
The canonical SMILES for ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate is CC.COC(=O)NC(C(C)=O)C1CC1.
What is the InChIKey of ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate?
The InChIKey is KMSCQBCMSOWDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3.C2H6/c1-5(10)7(6-3-4-6)9-8(11)12-2;1-2/h6-7H,3-4H2,1-2H3,(H,9,11);1-2H3.
What are the key properties of ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate?
ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate is sourced from PubChem (CID 143630049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).