benzyl 2-(cyclopentylamino)propanoate

C15H21NO2 — CID 123711216

IUPACbenzyl 2-(cyclopentylamino)propanoate
SMILESCC(NC1CCCC1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO2/c1-12(16-14-9-5-6-10-14)15(17)18-11-13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3
InChIKeyMZLFFVIGIPAQGJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.65
Rot. Bonds5

About benzyl 2-(cyclopentylamino)propanoate

benzyl 2-(cyclopentylamino)propanoate (PubChem CID 123711216) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is benzyl 2-(cyclopentylamino)propanoate.

Molecular Properties

Compound Namebenzyl 2-(cyclopentylamino)propanoate
PubChem CID123711216
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namebenzyl 2-(cyclopentylamino)propanoate
SMILESCC(NC1CCCC1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO2/c1-12(16-14-9-5-6-10-14)15(17)18-11-13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3
InChIKeyMZLFFVIGIPAQGJ-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-(pyrrolidin-3-ylamino)propanoate
CID 19853358
benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171356618
benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
CID 42885017
benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659
benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
CID 39958646
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate
CID 103393109
benzyl (2S)-2-(benzylamino)propanoate
CID 15488196
benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen
CID 144967680
ethyl 2-(cyclooctylamino)propanoate
CID 61498293
benzyl (2S)-2-acetamido-2-cyclopentylacetate
CID 155326038
benzyl 2-[[(2R,3R)-2-(2-methylpropyl)-4-oxoazetidin-3-yl]amino]propanoate
CID 22822744

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(cyclopentylamino)propanoate?
The IUPAC name of benzyl 2-(cyclopentylamino)propanoate (CID 123711216) is benzyl 2-(cyclopentylamino)propanoate.
What is the SMILES notation for benzyl 2-(cyclopentylamino)propanoate?
The canonical SMILES for benzyl 2-(cyclopentylamino)propanoate is CC(NC1CCCC1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(cyclopentylamino)propanoate?
The InChIKey is MZLFFVIGIPAQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(16-14-9-5-6-10-14)15(17)18-11-13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3.
What are the key properties of benzyl 2-(cyclopentylamino)propanoate?
benzyl 2-(cyclopentylamino)propanoate has a molecular weight of 247.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(cyclopentylamino)propanoate is sourced from PubChem (CID 123711216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).