methyl 2-[[1-[(E)-1-phenylprop-1-enyl]cyclopropyl]amino]acetate

C15H19NO2 — CID 101129463

IUPACmethyl 2-[[1-[(E)-1-phenylprop-1-enyl]cyclopropyl]amino]acetate
SMILESC/C=C(\c1ccccc1)C1(NCC(=O)OC)CC1
InChIInChI=1S/C15H19NO2/c1-3-13(12-7-5-4-6-8-12)15(9-10-15)16-11-14(17)18-2/h3-8,16H,9-11H2,1-2H3/b13-3+
InChIKeySRFKRGFVSARVRU-QLKAYGNNSA-N
MW245.32 g/mol
LogP2.39
Rot. Bonds5

About methyl 2-[[1-[(E)-1-phenylprop-1-enyl]cyclopropyl]amino]acetate

methyl 2-[[1-[(E)-1-phenylprop-1-enyl]cyclopropyl]amino]acetate (PubChem CID 101129463) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 2-[[1-[(E)-1-phenylprop-1-enyl]cyclopropyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-[(E)-1-phenylprop-1-enyl]cyclopropyl]amino]acetate
PubChem CID101129463
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namemethyl 2-[[1-[(E)-1-phenylprop-1-enyl]cyclopropyl]amino]acetate
SMILESC/C=C(\c1ccccc1)C1(NCC(=O)OC)CC1
InChIInChI=1S/C15H19NO2/c1-3-13(12-7-5-4-6-8-12)15(9-10-15)16-11-14(17)18-2/h3-8,16H,9-11H2,1-2H3/b13-3+
InChIKeySRFKRGFVSARVRU-QLKAYGNNSA-N
XLogP2.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[(E)-1-phenylprop-1-enyl]cyclopropan-1-amine
CID 101129469
methyl (E)-3-phenylpent-3-enoate
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methyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate
CID 177254785
methyl 2-[1-(benzhydrylideneamino)cyclopropyl]acetate
CID 14340053
methyl 2-[(2-benzoylbenzoyl)amino]acetate
CID 26586239
CID 172688243
CID 172688243
methyl 2-[[1-(3-chlorophenyl)cyclopropyl]amino]acetate
CID 75443074
methyl 8,8-diphenyloct-7-enoate
CID 13104337
(Z)-3-methyl-1-phenylpent-3-en-1-one
CID 101075943
methyl 2-(tritylamino)acetate
CID 637611
methyl 3-benzoylbut-3-enoate
CID 10845850
methyl 3-benzamido-3-oxopropanoate
CID 11345054

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[(E)-1-phenylprop-1-enyl]cyclopropyl]amino]acetate?
The IUPAC name of methyl 2-[[1-[(E)-1-phenylprop-1-enyl]cyclopropyl]amino]acetate (CID 101129463) is methyl 2-[[1-[(E)-1-phenylprop-1-enyl]cyclopropyl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-[(E)-1-phenylprop-1-enyl]cyclopropyl]amino]acetate?
The canonical SMILES for methyl 2-[[1-[(E)-1-phenylprop-1-enyl]cyclopropyl]amino]acetate is C/C=C(\c1ccccc1)C1(NCC(=O)OC)CC1.
What is the InChIKey of methyl 2-[[1-[(E)-1-phenylprop-1-enyl]cyclopropyl]amino]acetate?
The InChIKey is SRFKRGFVSARVRU-QLKAYGNNSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-13(12-7-5-4-6-8-12)15(9-10-15)16-11-14(17)18-2/h3-8,16H,9-11H2,1-2H3/b13-3+.
What are the key properties of methyl 2-[[1-[(E)-1-phenylprop-1-enyl]cyclopropyl]amino]acetate?
methyl 2-[[1-[(E)-1-phenylprop-1-enyl]cyclopropyl]amino]acetate has a molecular weight of 245.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[(E)-1-phenylprop-1-enyl]cyclopropyl]amino]acetate is sourced from PubChem (CID 101129463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).