methyl 3-ethyl-3-propan-2-ylazetidine-1-carboxylate

C10H19NO2 — CID 174337493

IUPACmethyl 3-ethyl-3-propan-2-ylazetidine-1-carboxylate
SMILESCCC1(C(C)C)CN(C(=O)OC)C1
InChIInChI=1S/C10H19NO2/c1-5-10(8(2)3)6-11(7-10)9(12)13-4/h8H,5-7H2,1-4H3
InChIKeyGTOVWPNVRNFGLK-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.12
Rot. Bonds2

About methyl 3-ethyl-3-propan-2-ylazetidine-1-carboxylate

methyl 3-ethyl-3-propan-2-ylazetidine-1-carboxylate (PubChem CID 174337493) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 3-ethyl-3-propan-2-ylazetidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-3-propan-2-ylazetidine-1-carboxylate
PubChem CID174337493
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 3-ethyl-3-propan-2-ylazetidine-1-carboxylate
SMILESCCC1(C(C)C)CN(C(=O)OC)C1
InChIInChI=1S/C10H19NO2/c1-5-10(8(2)3)6-11(7-10)9(12)13-4/h8H,5-7H2,1-4H3
InChIKeyGTOVWPNVRNFGLK-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
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methyl 4-[2-(butan-2-ylamino)acetyl]piperazine-1-carboxylate
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methyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate
CID 110818049
1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one
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2-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide
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CID 144942251

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-3-propan-2-ylazetidine-1-carboxylate?
The IUPAC name of methyl 3-ethyl-3-propan-2-ylazetidine-1-carboxylate (CID 174337493) is methyl 3-ethyl-3-propan-2-ylazetidine-1-carboxylate.
What is the SMILES notation for methyl 3-ethyl-3-propan-2-ylazetidine-1-carboxylate?
The canonical SMILES for methyl 3-ethyl-3-propan-2-ylazetidine-1-carboxylate is CCC1(C(C)C)CN(C(=O)OC)C1.
What is the InChIKey of methyl 3-ethyl-3-propan-2-ylazetidine-1-carboxylate?
The InChIKey is GTOVWPNVRNFGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-10(8(2)3)6-11(7-10)9(12)13-4/h8H,5-7H2,1-4H3.
What are the key properties of methyl 3-ethyl-3-propan-2-ylazetidine-1-carboxylate?
methyl 3-ethyl-3-propan-2-ylazetidine-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-3-propan-2-ylazetidine-1-carboxylate is sourced from PubChem (CID 174337493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).