methyl 2-(cyclopentylamino)-4-phenylbutanoate

C16H23NO2 — CID 62881627

IUPACmethyl 2-(cyclopentylamino)-4-phenylbutanoate
SMILESCOC(=O)C(CCc1ccccc1)NC1CCCC1
InChIInChI=1S/C16H23NO2/c1-19-16(18)15(17-14-9-5-6-10-14)12-11-13-7-3-2-4-8-13/h2-4,7-8,14-15,17H,5-6,9-12H2,1H3
InChIKeyXHEIITMKGKNRFV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.69
Rot. Bonds6

About methyl 2-(cyclopentylamino)-4-phenylbutanoate

methyl 2-(cyclopentylamino)-4-phenylbutanoate (PubChem CID 62881627) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 2-(cyclopentylamino)-4-phenylbutanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopentylamino)-4-phenylbutanoate
PubChem CID62881627
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 2-(cyclopentylamino)-4-phenylbutanoate
SMILESCOC(=O)C(CCc1ccccc1)NC1CCCC1
InChIInChI=1S/C16H23NO2/c1-19-16(18)15(17-14-9-5-6-10-14)12-11-13-7-3-2-4-8-13/h2-4,7-8,14-15,17H,5-6,9-12H2,1H3
InChIKeyXHEIITMKGKNRFV-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclopropylamino)-4-(3-phenylpropoxy)butanoate
CID 63034786
2-(cyclopropylamino)-4-phenylbutanoic acid
CID 62880586
methyl (2S)-2-(chloroamino)-4-phenylbutanoate
CID 121299211
N-benzylpropanamide;(2R)-2-(cyclohexylamino)-4-phenylbutanamide
CID 175552079
2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]azocan-1-yl]acetic acid
CID 70477640
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid
CID 22042507
benzyl 2-(cyclopentylamino)propanoate
CID 123711216
methyl (2S)-1-[(2S)-2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylate
CID 70538193
methyl 2-(oxan-2-yl)-4-phenylbutanoate
CID 175424806
methyl (2S)-2-[[(1S)-1-cyclohexyl-3-phenylpropyl]amino]-3-methylbutanoate
CID 101455107
(2S)-2-[[1-(2-oxo-2-phenylmethoxyethyl)azocan-3-yl]amino]-4-phenylbutanoic acid
CID 70477893

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentylamino)-4-phenylbutanoate?
The IUPAC name of methyl 2-(cyclopentylamino)-4-phenylbutanoate (CID 62881627) is methyl 2-(cyclopentylamino)-4-phenylbutanoate.
What is the SMILES notation for methyl 2-(cyclopentylamino)-4-phenylbutanoate?
The canonical SMILES for methyl 2-(cyclopentylamino)-4-phenylbutanoate is COC(=O)C(CCc1ccccc1)NC1CCCC1.
What is the InChIKey of methyl 2-(cyclopentylamino)-4-phenylbutanoate?
The InChIKey is XHEIITMKGKNRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-19-16(18)15(17-14-9-5-6-10-14)12-11-13-7-3-2-4-8-13/h2-4,7-8,14-15,17H,5-6,9-12H2,1H3.
What are the key properties of methyl 2-(cyclopentylamino)-4-phenylbutanoate?
methyl 2-(cyclopentylamino)-4-phenylbutanoate has a molecular weight of 261.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentylamino)-4-phenylbutanoate is sourced from PubChem (CID 62881627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).