phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate

C13H16N2O3 — CID 113408177

IUPACphenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)Oc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C13H16N2O3/c1-9(12(16)15-10-7-8-10)14-13(17)18-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyMZVXWRXJUAESDZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.44
Rot. Bonds4

About phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate

phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 113408177) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate
PubChem CID113408177
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namephenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)Oc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C13H16N2O3/c1-9(12(16)15-10-7-8-10)14-13(17)18-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyMZVXWRXJUAESDZ-UHFFFAOYSA-N
XLogP1.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
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phenyl N-cyclooctylcarbamate
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(2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide
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Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate (CID 113408177) is phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate is CC(NC(=O)Oc1ccccc1)C(=O)NC1CC1.
What is the InChIKey of phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is MZVXWRXJUAESDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(12(16)15-10-7-8-10)14-13(17)18-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate?
phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 248.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 113408177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).