ethyl 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)propanoate

C14H25NO2S — CID 63120131

IUPACethyl 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)propanoate
SMILESCCOC(=O)C(CSCC1CCCC1)NC1CC1
InChIInChI=1S/C14H25NO2S/c1-2-17-14(16)13(15-12-7-8-12)10-18-9-11-5-3-4-6-11/h11-13,15H,2-10H2,1H3
InChIKeyVAWUJGNFJZDSQK-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.59
Rot. Bonds8

About ethyl 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)propanoate

ethyl 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)propanoate (PubChem CID 63120131) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is ethyl 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)propanoate
PubChem CID63120131
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Nameethyl 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)propanoate
SMILESCCOC(=O)C(CSCC1CCCC1)NC1CC1
InChIInChI=1S/C14H25NO2S/c1-2-17-14(16)13(15-12-7-8-12)10-18-9-11-5-3-4-6-11/h11-13,15H,2-10H2,1H3
InChIKeyVAWUJGNFJZDSQK-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(cyclopentylmethylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 63120109
ethyl 2-(cyclopropylamino)-3-pentylsulfanylpropanoate
CID 107755529
methyl 3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propanoate
CID 63120085
ethyl 2-(cyclopropylamino)-4-ethylsulfanylbutanoate
CID 63035698
ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate
CID 60812555
ethyl 2-(cyclohexylamino)nonanoate
CID 63524115
(2R)-2-acetamido-3-(cyclopentylmethylsulfanyl)propanoic acid
CID 107774767
ethyl 2-(cyclooctylamino)propanoate
CID 61498293
ethyl 2-(cyclopentylamino)-2-cyclopropylacetate
CID 61310564
ethyl 2-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate
CID 104603828
ethyl (2S)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-cyclopentylpropanoate
CID 157337378
ethyl 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanoate
CID 115561433

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)propanoate?
The IUPAC name of ethyl 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)propanoate (CID 63120131) is ethyl 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)propanoate.
What is the SMILES notation for ethyl 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)propanoate?
The canonical SMILES for ethyl 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)propanoate is CCOC(=O)C(CSCC1CCCC1)NC1CC1.
What is the InChIKey of ethyl 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)propanoate?
The InChIKey is VAWUJGNFJZDSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-2-17-14(16)13(15-12-7-8-12)10-18-9-11-5-3-4-6-11/h11-13,15H,2-10H2,1H3.
What are the key properties of ethyl 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)propanoate?
ethyl 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)propanoate has a molecular weight of 271.43 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)propanoate is sourced from PubChem (CID 63120131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).