benzyl 1-amino-2-ethylcyclopropane-1-carboxylate

C13H17NO2 — CID 73121008

IUPACbenzyl 1-amino-2-ethylcyclopropane-1-carboxylate
SMILESCCC1CC1(N)C(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-11-8-13(11,14)12(15)16-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9,14H2,1H3
InChIKeyQKYVVNOXDBXBOR-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.86
Rot. Bonds4

About benzyl 1-amino-2-ethylcyclopropane-1-carboxylate

benzyl 1-amino-2-ethylcyclopropane-1-carboxylate (PubChem CID 73121008) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is benzyl 1-amino-2-ethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 1-amino-2-ethylcyclopropane-1-carboxylate
PubChem CID73121008
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namebenzyl 1-amino-2-ethylcyclopropane-1-carboxylate
SMILESCCC1CC1(N)C(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-11-8-13(11,14)12(15)16-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9,14H2,1H3
InChIKeyQKYVVNOXDBXBOR-UHFFFAOYSA-N
XLogP1.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-benzyl (1S,2S)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 11023608
benzyl (3R,4S)-3-amino-4-prop-2-enylpyrrolidine-3-carboxylate
CID 166951895
benzyl (3R,4S)-3-amino-4-prop-2-enyl-1-sulfamoylpyrrolidine-3-carboxylate
CID 155204762
CID 100946372
CID 100946372
diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate
CID 10946695
benzyl 1-hydroxy-4-methylcyclohexane-1-carboxylate
CID 175022873
dibenzyl (1S,4E,5R)-4-benzylidene-5-ethylbicyclo[3.1.0]hexane-2,2-dicarboxylate
CID 134949976
benzyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 139967702
benzyl 2-ethoxy-1,3,3-trimethylcyclohexane-1-carboxylate
CID 146647630
benzyl 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylate
CID 171991539
benzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate
CID 177499812
2-ethyl-1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 103670874

Frequently Asked Questions

What is the IUPAC name of benzyl 1-amino-2-ethylcyclopropane-1-carboxylate?
The IUPAC name of benzyl 1-amino-2-ethylcyclopropane-1-carboxylate (CID 73121008) is benzyl 1-amino-2-ethylcyclopropane-1-carboxylate.
What is the SMILES notation for benzyl 1-amino-2-ethylcyclopropane-1-carboxylate?
The canonical SMILES for benzyl 1-amino-2-ethylcyclopropane-1-carboxylate is CCC1CC1(N)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 1-amino-2-ethylcyclopropane-1-carboxylate?
The InChIKey is QKYVVNOXDBXBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-11-8-13(11,14)12(15)16-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9,14H2,1H3.
What are the key properties of benzyl 1-amino-2-ethylcyclopropane-1-carboxylate?
benzyl 1-amino-2-ethylcyclopropane-1-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-amino-2-ethylcyclopropane-1-carboxylate is sourced from PubChem (CID 73121008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).