ethyl 2-[(1-cyclopropylbutan-2-ylamino)methyl]prop-2-enoate

C13H23NO2 — CID 103251898

IUPACethyl 2-[(1-cyclopropylbutan-2-ylamino)methyl]prop-2-enoate
SMILESC=C(CNC(CC)CC1CC1)C(=O)OCC
InChIInChI=1S/C13H23NO2/c1-4-12(8-11-6-7-11)14-9-10(3)13(15)16-5-2/h11-12,14H,3-9H2,1-2H3
InChIKeySQDHHVDPLQCGSI-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.27
Rot. Bonds8

About ethyl 2-[(1-cyclopropylbutan-2-ylamino)methyl]prop-2-enoate

ethyl 2-[(1-cyclopropylbutan-2-ylamino)methyl]prop-2-enoate (PubChem CID 103251898) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is ethyl 2-[(1-cyclopropylbutan-2-ylamino)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[(1-cyclopropylbutan-2-ylamino)methyl]prop-2-enoate
PubChem CID103251898
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nameethyl 2-[(1-cyclopropylbutan-2-ylamino)methyl]prop-2-enoate
SMILESC=C(CNC(CC)CC1CC1)C(=O)OCC
InChIInChI=1S/C13H23NO2/c1-4-12(8-11-6-7-11)14-9-10(3)13(15)16-5-2/h11-12,14H,3-9H2,1-2H3
InChIKeySQDHHVDPLQCGSI-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyl-2-(1-cyclopropylbutan-2-ylamino)acetamide
CID 63995737
butyl 2-(1-cyclopropylbutan-2-ylamino)acetate
CID 63995531
ethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate
CID 103254926
tert-butyl 2-(1-cyclopropylbutan-2-ylamino)acetate
CID 63996725
2-(1-cyclopropylbutan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 63993753
ethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate
CID 103265214
N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine
CID 65459186
ethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate
CID 103253445
ethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate
CID 103261017
ethyl 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]prop-2-enoate
CID 103254729
2-[(1-cyclopropylpropan-2-ylamino)methyl]prop-2-enoic acid
CID 103251168
ethyl 2-methylidene-4-(7-oxabicyclo[4.1.0]heptan-3-yl)butanoate
CID 177481429

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-cyclopropylbutan-2-ylamino)methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[(1-cyclopropylbutan-2-ylamino)methyl]prop-2-enoate (CID 103251898) is ethyl 2-[(1-cyclopropylbutan-2-ylamino)methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[(1-cyclopropylbutan-2-ylamino)methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[(1-cyclopropylbutan-2-ylamino)methyl]prop-2-enoate is C=C(CNC(CC)CC1CC1)C(=O)OCC.
What is the InChIKey of ethyl 2-[(1-cyclopropylbutan-2-ylamino)methyl]prop-2-enoate?
The InChIKey is SQDHHVDPLQCGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-12(8-11-6-7-11)14-9-10(3)13(15)16-5-2/h11-12,14H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[(1-cyclopropylbutan-2-ylamino)methyl]prop-2-enoate?
ethyl 2-[(1-cyclopropylbutan-2-ylamino)methyl]prop-2-enoate has a molecular weight of 225.33 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-cyclopropylbutan-2-ylamino)methyl]prop-2-enoate is sourced from PubChem (CID 103251898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).