methyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate

C8H15NO3 — CID 136574717

IUPACmethyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(NCCO)CCC1
InChIInChI=1S/C8H15NO3/c1-12-7(11)8(3-2-4-8)9-5-6-10/h9-10H,2-6H2,1H3
InChIKeyDYIDATDSRZZRJI-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.34
Rot. Bonds4

About methyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate

methyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate (PubChem CID 136574717) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate
PubChem CID136574717
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(NCCO)CCC1
InChIInChI=1S/C8H15NO3/c1-12-7(11)8(3-2-4-8)9-5-6-10/h9-10H,2-6H2,1H3
InChIKeyDYIDATDSRZZRJI-UHFFFAOYSA-N
XLogP-0.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate
CID 62389297
methyl 1-(ethylamino)cyclododecane-1-carboxylate
CID 60788037
methyl 8-(2-methoxyethylamino)spiro[4.5]decane-8-carboxylate
CID 114818425
methyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate
CID 62367369
methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate
CID 62389126
methyl 3-(propylamino)thiane-3-carboxylate
CID 62873112
methyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate
CID 110009645
methyl 1-[2-(dimethylamino)ethylamino]-4-methylcycloheptane-1-carboxylate
CID 65085158
methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate
CID 62389460
methyl 1-(3-azidopropylamino)cyclopropane-1-carboxylate
CID 103439553
methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate
CID 22080602
ethyl 1-(propylamino)cycloheptane-1-carboxylate
CID 60796518

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate (CID 136574717) is methyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate is COC(=O)C1(NCCO)CCC1.
What is the InChIKey of methyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate?
The InChIKey is DYIDATDSRZZRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-12-7(11)8(3-2-4-8)9-5-6-10/h9-10H,2-6H2,1H3.
What are the key properties of methyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate?
methyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate has a molecular weight of 173.21 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate is sourced from PubChem (CID 136574717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).