ethyl N-[3-(methylamino)-3-oxopropyl]carbamate

C7H14N2O3 — CID 60762452

IUPACethyl N-[3-(methylamino)-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)NC
InChIInChI=1S/C7H14N2O3/c1-3-12-7(11)9-5-4-6(10)8-2/h3-5H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyUCTHRYCHAXXYGD-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.13
Rot. Bonds4

About ethyl N-[3-(methylamino)-3-oxopropyl]carbamate

ethyl N-[3-(methylamino)-3-oxopropyl]carbamate (PubChem CID 60762452) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is ethyl N-[3-(methylamino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(methylamino)-3-oxopropyl]carbamate
PubChem CID60762452
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Nameethyl N-[3-(methylamino)-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)NC
InChIInChI=1S/C7H14N2O3/c1-3-12-7(11)9-5-4-6(10)8-2/h3-5H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyUCTHRYCHAXXYGD-UHFFFAOYSA-N
XLogP-0.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(carbamoylamino)-N-methylpropanamide
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ethyl 4-(ethoxycarbonylamino)butanoate
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ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate
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ethyl N-(4-methylpent-4-enyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(methylamino)-3-oxopropyl]carbamate?
The IUPAC name of ethyl N-[3-(methylamino)-3-oxopropyl]carbamate (CID 60762452) is ethyl N-[3-(methylamino)-3-oxopropyl]carbamate.
What is the SMILES notation for ethyl N-[3-(methylamino)-3-oxopropyl]carbamate?
The canonical SMILES for ethyl N-[3-(methylamino)-3-oxopropyl]carbamate is CCOC(=O)NCCC(=O)NC.
What is the InChIKey of ethyl N-[3-(methylamino)-3-oxopropyl]carbamate?
The InChIKey is UCTHRYCHAXXYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-3-12-7(11)9-5-4-6(10)8-2/h3-5H2,1-2H3,(H,8,10)(H,9,11).
What are the key properties of ethyl N-[3-(methylamino)-3-oxopropyl]carbamate?
ethyl N-[3-(methylamino)-3-oxopropyl]carbamate has a molecular weight of 174.20 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(methylamino)-3-oxopropyl]carbamate is sourced from PubChem (CID 60762452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).