ethyl 3-cyclopropyl-3-[(4-methoxyphenyl)methylamino]propanoate

C16H23NO3 — CID 134161996

IUPACethyl 3-cyclopropyl-3-[(4-methoxyphenyl)methylamino]propanoate
SMILESCCOC(=O)CC(NCc1ccc(OC)cc1)C1CC1
InChIInChI=1S/C16H23NO3/c1-3-20-16(18)10-15(13-6-7-13)17-11-12-4-8-14(19-2)9-5-12/h4-5,8-9,13,15,17H,3,6-7,10-11H2,1-2H3
InChIKeyGFYXWVPDPUJMHV-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.52
Rot. Bonds8

About ethyl 3-cyclopropyl-3-[(4-methoxyphenyl)methylamino]propanoate

ethyl 3-cyclopropyl-3-[(4-methoxyphenyl)methylamino]propanoate (PubChem CID 134161996) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 3-cyclopropyl-3-[(4-methoxyphenyl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-cyclopropyl-3-[(4-methoxyphenyl)methylamino]propanoate
PubChem CID134161996
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 3-cyclopropyl-3-[(4-methoxyphenyl)methylamino]propanoate
SMILESCCOC(=O)CC(NCc1ccc(OC)cc1)C1CC1
InChIInChI=1S/C16H23NO3/c1-3-20-16(18)10-15(13-6-7-13)17-11-12-4-8-14(19-2)9-5-12/h4-5,8-9,13,15,17H,3,6-7,10-11H2,1-2H3
InChIKeyGFYXWVPDPUJMHV-UHFFFAOYSA-N
XLogP2.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-cyclopropyl-3-(pyridin-4-ylmethylamino)propanoate
CID 134162113
methyl 3-(benzylamino)-3-cyclopropylpropanoate
CID 134161981
methyl 3-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate
CID 58000258
methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
ethyl (3R)-3-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-[(4-methoxyphenyl)methylamino]propanoate
CID 101341512
methyl (3R)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105718
methyl (3S)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105717
(4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate
CID 62695261
methyl (3S)-3-cyclopropyl-3-[(4-methoxyphenyl)carbamoylamino]propanoate
CID 96535661
ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid
CID 91562631
ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65233826
ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate
CID 10015086

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopropyl-3-[(4-methoxyphenyl)methylamino]propanoate?
The IUPAC name of ethyl 3-cyclopropyl-3-[(4-methoxyphenyl)methylamino]propanoate (CID 134161996) is ethyl 3-cyclopropyl-3-[(4-methoxyphenyl)methylamino]propanoate.
What is the SMILES notation for ethyl 3-cyclopropyl-3-[(4-methoxyphenyl)methylamino]propanoate?
The canonical SMILES for ethyl 3-cyclopropyl-3-[(4-methoxyphenyl)methylamino]propanoate is CCOC(=O)CC(NCc1ccc(OC)cc1)C1CC1.
What is the InChIKey of ethyl 3-cyclopropyl-3-[(4-methoxyphenyl)methylamino]propanoate?
The InChIKey is GFYXWVPDPUJMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-20-16(18)10-15(13-6-7-13)17-11-12-4-8-14(19-2)9-5-12/h4-5,8-9,13,15,17H,3,6-7,10-11H2,1-2H3.
What are the key properties of ethyl 3-cyclopropyl-3-[(4-methoxyphenyl)methylamino]propanoate?
ethyl 3-cyclopropyl-3-[(4-methoxyphenyl)methylamino]propanoate has a molecular weight of 277.36 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopropyl-3-[(4-methoxyphenyl)methylamino]propanoate is sourced from PubChem (CID 134161996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).