ethyl (2S,3S)-2-(cyclopentylamino)-3-methoxy-3-phenylpropanoate

C17H25NO3 — CID 71740166

IUPACethyl (2S,3S)-2-(cyclopentylamino)-3-methoxy-3-phenylpropanoate
SMILESCCOC(=O)[C@@H](NC1CCCC1)[C@@H](OC)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-3-21-17(19)15(18-14-11-7-8-12-14)16(20-2)13-9-5-4-6-10-13/h4-6,9-10,14-16,18H,3,7-8,11-12H2,1-2H3/t15-,16-/m0/s1
InChIKeyZUUNNQLJRHWFCG-HOTGVXAUSA-N
MW291.39 g/mol
LogP2.84
Rot. Bonds7

About ethyl (2S,3S)-2-(cyclopentylamino)-3-methoxy-3-phenylpropanoate

ethyl (2S,3S)-2-(cyclopentylamino)-3-methoxy-3-phenylpropanoate (PubChem CID 71740166) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl (2S,3S)-2-(cyclopentylamino)-3-methoxy-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2S,3S)-2-(cyclopentylamino)-3-methoxy-3-phenylpropanoate
PubChem CID71740166
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl (2S,3S)-2-(cyclopentylamino)-3-methoxy-3-phenylpropanoate
SMILESCCOC(=O)[C@@H](NC1CCCC1)[C@@H](OC)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-3-21-17(19)15(18-14-11-7-8-12-14)16(20-2)13-9-5-4-6-10-13/h4-6,9-10,14-16,18H,3,7-8,11-12H2,1-2H3/t15-,16-/m0/s1
InChIKeyZUUNNQLJRHWFCG-HOTGVXAUSA-N
XLogP2.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate
CID 60998192
2-(cyclohexylamino)-3-phenylbutanamide
CID 61307705
methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate
CID 65080240
ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate
CID 54893052
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)acetate
CID 54892911
ethyl 2-phenyl-2-(thian-3-ylamino)acetate
CID 103952099
ethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate
CID 116502070
ethyl 2-[(3-methylsulfanylcyclohexyl)amino]-2-phenylacetate
CID 103952054
1-cyclopentyl-2-methoxy-2-phenylethanol
CID 116756943
ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate
CID 54892913
ethyl (2R)-3-cyclopentyl-2-phenylpropanoate
CID 129391453

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S)-2-(cyclopentylamino)-3-methoxy-3-phenylpropanoate?
The IUPAC name of ethyl (2S,3S)-2-(cyclopentylamino)-3-methoxy-3-phenylpropanoate (CID 71740166) is ethyl (2S,3S)-2-(cyclopentylamino)-3-methoxy-3-phenylpropanoate.
What is the SMILES notation for ethyl (2S,3S)-2-(cyclopentylamino)-3-methoxy-3-phenylpropanoate?
The canonical SMILES for ethyl (2S,3S)-2-(cyclopentylamino)-3-methoxy-3-phenylpropanoate is CCOC(=O)[C@@H](NC1CCCC1)[C@@H](OC)c1ccccc1.
What is the InChIKey of ethyl (2S,3S)-2-(cyclopentylamino)-3-methoxy-3-phenylpropanoate?
The InChIKey is ZUUNNQLJRHWFCG-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-21-17(19)15(18-14-11-7-8-12-14)16(20-2)13-9-5-4-6-10-13/h4-6,9-10,14-16,18H,3,7-8,11-12H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of ethyl (2S,3S)-2-(cyclopentylamino)-3-methoxy-3-phenylpropanoate?
ethyl (2S,3S)-2-(cyclopentylamino)-3-methoxy-3-phenylpropanoate has a molecular weight of 291.39 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S)-2-(cyclopentylamino)-3-methoxy-3-phenylpropanoate is sourced from PubChem (CID 71740166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).