methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate

C15H19NO2 — CID 115002579

IUPACmethyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate
SMILESC=CCNC(C(=O)OC)(c1ccccc1)C1CC1
InChIInChI=1S/C15H19NO2/c1-3-11-16-15(13-9-10-13,14(17)18-2)12-7-5-4-6-8-12/h3-8,13,16H,1,9-11H2,2H3
InChIKeyOKVSMDXIJKHKOD-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.24
Rot. Bonds6

About methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate

methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate (PubChem CID 115002579) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate
PubChem CID115002579
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namemethyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate
SMILESC=CCNC(C(=O)OC)(c1ccccc1)C1CC1
InChIInChI=1S/C15H19NO2/c1-3-11-16-15(13-9-10-13,14(17)18-2)12-7-5-4-6-8-12/h3-8,13,16H,1,9-11H2,2H3
InChIKeyOKVSMDXIJKHKOD-UHFFFAOYSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-cyclopropyl-2-(ethylamino)-2-phenylacetate
CID 114989601
methyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate
CID 103464935
methyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate
CID 135143039
methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate
CID 61001353
methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992
methyl 2-cyclopropyl-2-phenylpropanoate
CID 131845988
methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate
CID 101079952
methyl (2S)-2-anilino-2-phenyl-2-pyrrolidin-3-ylacetate
CID 142788300
methyl (2S)-2-cyclopropyl-2-(methoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate
CID 10737815
butanedioic acid;bis(2-phenyl-N-prop-2-enylpropan-2-amine)
CID 173249762
3-phenyl-N-prop-2-enylpentan-3-amine
CID 174436500
2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 10515617

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate?
The IUPAC name of methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate (CID 115002579) is methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate is C=CCNC(C(=O)OC)(c1ccccc1)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate?
The InChIKey is OKVSMDXIJKHKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-11-16-15(13-9-10-13,14(17)18-2)12-7-5-4-6-8-12/h3-8,13,16H,1,9-11H2,2H3.
What are the key properties of methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate?
methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate has a molecular weight of 245.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate is sourced from PubChem (CID 115002579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).