methyl 2-amino-3-(3-cyclopentyl-2-hydroxypropyl)sulfanylpropanoate

C12H23NO3S — CID 103158740

IUPACmethyl 2-amino-3-(3-cyclopentyl-2-hydroxypropyl)sulfanylpropanoate
SMILESCOC(=O)C(N)CSCC(O)CC1CCCC1
InChIInChI=1S/C12H23NO3S/c1-16-12(15)11(13)8-17-7-10(14)6-9-4-2-3-5-9/h9-11,14H,2-8,13H2,1H3
InChIKeyZSFVMBPCBDYUDA-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.16
Rot. Bonds7

About methyl 2-amino-3-(3-cyclopentyl-2-hydroxypropyl)sulfanylpropanoate

methyl 2-amino-3-(3-cyclopentyl-2-hydroxypropyl)sulfanylpropanoate (PubChem CID 103158740) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is methyl 2-amino-3-(3-cyclopentyl-2-hydroxypropyl)sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(3-cyclopentyl-2-hydroxypropyl)sulfanylpropanoate
PubChem CID103158740
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Namemethyl 2-amino-3-(3-cyclopentyl-2-hydroxypropyl)sulfanylpropanoate
SMILESCOC(=O)C(N)CSCC(O)CC1CCCC1
InChIInChI=1S/C12H23NO3S/c1-16-12(15)11(13)8-17-7-10(14)6-9-4-2-3-5-9/h9-11,14H,2-8,13H2,1H3
InChIKeyZSFVMBPCBDYUDA-UHFFFAOYSA-N
XLogP1.16
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride
CID 137346923
methyl 2-[1-[(3-cyclopentyl-2-hydroxypropyl)sulfanylmethyl]cyclopropyl]acetate
CID 114000240
methyl 2-amino-3-cyclopropylpropanoate;hydrochloride
CID 66593108
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468
1-(2-amino-2-methylpropyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 103158869
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
methyl (2R)-2-amino-4-cyclohexylbutanoate
CID 150785903
2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid
CID 11672870
1-(3-aminopropylsulfanyl)-3-cyclopentylpropan-2-ol
CID 103158859
methyl (2R)-2-amino-3-(2-hydroxyethylsulfanyl)propanoate
CID 12858851
methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate
CID 14043
methyl 3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propanoate
CID 63120085

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(3-cyclopentyl-2-hydroxypropyl)sulfanylpropanoate?
The IUPAC name of methyl 2-amino-3-(3-cyclopentyl-2-hydroxypropyl)sulfanylpropanoate (CID 103158740) is methyl 2-amino-3-(3-cyclopentyl-2-hydroxypropyl)sulfanylpropanoate.
What is the SMILES notation for methyl 2-amino-3-(3-cyclopentyl-2-hydroxypropyl)sulfanylpropanoate?
The canonical SMILES for methyl 2-amino-3-(3-cyclopentyl-2-hydroxypropyl)sulfanylpropanoate is COC(=O)C(N)CSCC(O)CC1CCCC1.
What is the InChIKey of methyl 2-amino-3-(3-cyclopentyl-2-hydroxypropyl)sulfanylpropanoate?
The InChIKey is ZSFVMBPCBDYUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-16-12(15)11(13)8-17-7-10(14)6-9-4-2-3-5-9/h9-11,14H,2-8,13H2,1H3.
What are the key properties of methyl 2-amino-3-(3-cyclopentyl-2-hydroxypropyl)sulfanylpropanoate?
methyl 2-amino-3-(3-cyclopentyl-2-hydroxypropyl)sulfanylpropanoate has a molecular weight of 261.39 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(3-cyclopentyl-2-hydroxypropyl)sulfanylpropanoate is sourced from PubChem (CID 103158740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).