methyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate

C9H16N2O3 — CID 113052167

IUPACmethyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate
SMILESCOC(=O)NCCN(C(C)=O)C1CC1
InChIInChI=1S/C9H16N2O3/c1-7(12)11(8-3-4-8)6-5-10-9(13)14-2/h8H,3-6H2,1-2H3,(H,10,13)
InChIKeyZNGNGALNJQCTEY-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.35
Rot. Bonds4

About methyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate

methyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate (PubChem CID 113052167) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate
PubChem CID113052167
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate
SMILESCOC(=O)NCCN(C(C)=O)C1CC1
InChIInChI=1S/C9H16N2O3/c1-7(12)11(8-3-4-8)6-5-10-9(13)14-2/h8H,3-6H2,1-2H3,(H,10,13)
InChIKeyZNGNGALNJQCTEY-UHFFFAOYSA-N
XLogP0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate
CID 113052169
tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate
CID 113056745
N-[2-[acetyl(cyclopentyl)amino]ethyl]-2-methylpropanamide
CID 113052772
N-[2-[acetyl(cyclopropyl)amino]ethyl]oxane-4-carboxamide
CID 113052174
N-[2-[acetyl(cyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 113052903
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 113052128
ethane;methyl N-[2-(dimethylamino)ethyl]carbamate
CID 156869212
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
methyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate
CID 113053446
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113056688
2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid
CID 90205224
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate
CID 90457113

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate?
The IUPAC name of methyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate (CID 113052167) is methyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate is COC(=O)NCCN(C(C)=O)C1CC1.
What is the InChIKey of methyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate?
The InChIKey is ZNGNGALNJQCTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(12)11(8-3-4-8)6-5-10-9(13)14-2/h8H,3-6H2,1-2H3,(H,10,13).
What are the key properties of methyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate?
methyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate has a molecular weight of 200.24 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate is sourced from PubChem (CID 113052167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).