ethyl 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]prop-2-enoate

C12H21NO3 — CID 103269315

IUPACethyl 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]prop-2-enoate
SMILESC=C(CNCC1(CCO)CC1)C(=O)OCC
InChIInChI=1S/C12H21NO3/c1-3-16-11(15)10(2)8-13-9-12(4-5-12)6-7-14/h13-14H,2-9H2,1H3
InChIKeyJBRKPJWOOOQLSR-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.86
Rot. Bonds8

About ethyl 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]prop-2-enoate

ethyl 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]prop-2-enoate (PubChem CID 103269315) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is ethyl 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]prop-2-enoate
PubChem CID103269315
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameethyl 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]prop-2-enoate
SMILESC=C(CNCC1(CCO)CC1)C(=O)OCC
InChIInChI=1S/C12H21NO3/c1-3-16-11(15)10(2)8-13-9-12(4-5-12)6-7-14/h13-14H,2-9H2,1H3
InChIKeyJBRKPJWOOOQLSR-UHFFFAOYSA-N
XLogP0.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2-methylidenebutylamino)methyl]cyclopropyl]ethanol
CID 114756336
ethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate
CID 103253445
ethyl 2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]prop-2-enoate
CID 106149122
ethyl 2-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]prop-2-enoate
CID 106178121
ethyl 2-[(2,3-dihydroxypropylamino)methyl]prop-2-enoate
CID 103256238
ethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate
CID 114756588
ethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate
CID 103254926
ethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate
CID 103265214
2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol
CID 114756460
2-[1-(propylaminomethyl)cyclopropyl]ethanol
CID 114756075
ethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate
CID 103261017
ethyl 2-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]methyl]prop-2-enoate
CID 103261510

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]prop-2-enoate (CID 103269315) is ethyl 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]prop-2-enoate is C=C(CNCC1(CCO)CC1)C(=O)OCC.
What is the InChIKey of ethyl 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]prop-2-enoate?
The InChIKey is JBRKPJWOOOQLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-16-11(15)10(2)8-13-9-12(4-5-12)6-7-14/h13-14H,2-9H2,1H3.
What are the key properties of ethyl 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]prop-2-enoate?
ethyl 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]prop-2-enoate has a molecular weight of 227.30 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]prop-2-enoate is sourced from PubChem (CID 103269315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).