methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate

C16H22FNO3 — CID 60998641

IUPACmethyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate
SMILESCOC(=O)C(C)(NC1CCCC1)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H22FNO3/c1-16(15(19)21-3,18-12-6-4-5-7-12)11-8-9-14(20-2)13(17)10-11/h8-10,12,18H,4-7H2,1-3H3
InChIKeyNFSSBFBXDJSBDP-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.75
Rot. Bonds5

About methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate

methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate (PubChem CID 60998641) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate
PubChem CID60998641
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Namemethyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate
SMILESCOC(=O)C(C)(NC1CCCC1)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H22FNO3/c1-16(15(19)21-3,18-12-6-4-5-7-12)11-8-9-14(20-2)13(17)10-11/h8-10,12,18H,4-7H2,1-3H3
InChIKeyNFSSBFBXDJSBDP-UHFFFAOYSA-N
XLogP2.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 60998426
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 43754500
methyl 2-(cyclohexylamino)-2-(4-methoxyphenyl)propanoate
CID 60998069
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol
CID 61046929
methyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)propanoate
CID 60998071
methyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate
CID 54893864
methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate
CID 60796252
methyl 2-(4-bromophenyl)-2-(cyclohexylamino)propanoate
CID 60998554
methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate
CID 62214650
methyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 60998770
methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate
CID 54894107
methyl 2-(3-bromophenyl)-2-(cyclohexylamino)propanoate
CID 60997710

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate?
The IUPAC name of methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate (CID 60998641) is methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate?
The canonical SMILES for methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate is COC(=O)C(C)(NC1CCCC1)c1ccc(OC)c(F)c1.
What is the InChIKey of methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate?
The InChIKey is NFSSBFBXDJSBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-16(15(19)21-3,18-12-6-4-5-7-12)11-8-9-14(20-2)13(17)10-11/h8-10,12,18H,4-7H2,1-3H3.
What are the key properties of methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate?
methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate has a molecular weight of 295.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate is sourced from PubChem (CID 60998641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).