methyl 2-cyclopropyl-2-(oxetan-3-ylamino)acetate

C9H15NO3 — CID 103256848

IUPACmethyl 2-cyclopropyl-2-(oxetan-3-ylamino)acetate
SMILESCOC(=O)C(NC1COC1)C1CC1
InChIInChI=1S/C9H15NO3/c1-12-9(11)8(6-2-3-6)10-7-4-13-5-7/h6-8,10H,2-5H2,1H3
InChIKeyFWKUVQYRIDRODC-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.07
Rot. Bonds4

About methyl 2-cyclopropyl-2-(oxetan-3-ylamino)acetate

methyl 2-cyclopropyl-2-(oxetan-3-ylamino)acetate (PubChem CID 103256848) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(oxetan-3-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(oxetan-3-ylamino)acetate
PubChem CID103256848
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 2-cyclopropyl-2-(oxetan-3-ylamino)acetate
SMILESCOC(=O)C(NC1COC1)C1CC1
InChIInChI=1S/C9H15NO3/c1-12-9(11)8(6-2-3-6)10-7-4-13-5-7/h6-8,10H,2-5H2,1H3
InChIKeyFWKUVQYRIDRODC-UHFFFAOYSA-N
XLogP-0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-(cyclopropylamino)acetate
CID 61310174
methyl 2-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]acetate
CID 103239258
methyl 2-acetamido-2-cyclopropylacetate
CID 121215489
methyl 2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)amino]acetate
CID 103244098
methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate
CID 104693831
methyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate
CID 58137906
methyl (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetate
CID 70702377
methyl (2R)-2-cyclopropyl-2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]acetate
CID 99777253
methyl 2-cyclopropyl-2-[(3-ethyl-2-methylcyclopentyl)amino]acetate
CID 103254073
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetate
CID 42614608
methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate
CID 104704764
methyl 2-cyclopropyl-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
CID 107853970

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(oxetan-3-ylamino)acetate?
The IUPAC name of methyl 2-cyclopropyl-2-(oxetan-3-ylamino)acetate (CID 103256848) is methyl 2-cyclopropyl-2-(oxetan-3-ylamino)acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(oxetan-3-ylamino)acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-(oxetan-3-ylamino)acetate is COC(=O)C(NC1COC1)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(oxetan-3-ylamino)acetate?
The InChIKey is FWKUVQYRIDRODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-9(11)8(6-2-3-6)10-7-4-13-5-7/h6-8,10H,2-5H2,1H3.
What are the key properties of methyl 2-cyclopropyl-2-(oxetan-3-ylamino)acetate?
methyl 2-cyclopropyl-2-(oxetan-3-ylamino)acetate has a molecular weight of 185.22 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(oxetan-3-ylamino)acetate is sourced from PubChem (CID 103256848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).