ethyl 2-amino-2-cyclopropyl-3-(oxolan-2-ylmethylsulfanyl)propanoate

C13H23NO3S — CID 106495711

IUPACethyl 2-amino-2-cyclopropyl-3-(oxolan-2-ylmethylsulfanyl)propanoate
SMILESCCOC(=O)C(N)(CSCC1CCCO1)C1CC1
InChIInChI=1S/C13H23NO3S/c1-2-16-12(15)13(14,10-5-6-10)9-18-8-11-4-3-7-17-11/h10-11H,2-9,14H2,1H3
InChIKeyZGBAABFUSAPJHB-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.57
Rot. Bonds7

About ethyl 2-amino-2-cyclopropyl-3-(oxolan-2-ylmethylsulfanyl)propanoate

ethyl 2-amino-2-cyclopropyl-3-(oxolan-2-ylmethylsulfanyl)propanoate (PubChem CID 106495711) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-(oxolan-2-ylmethylsulfanyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-(oxolan-2-ylmethylsulfanyl)propanoate
PubChem CID106495711
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-(oxolan-2-ylmethylsulfanyl)propanoate
SMILESCCOC(=O)C(N)(CSCC1CCCO1)C1CC1
InChIInChI=1S/C13H23NO3S/c1-2-16-12(15)13(14,10-5-6-10)9-18-8-11-4-3-7-17-11/h10-11H,2-9,14H2,1H3
InChIKeyZGBAABFUSAPJHB-UHFFFAOYSA-N
XLogP1.57
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate
CID 63919480
ethyl 2-(ethylamino)-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanoate
CID 106495604
ethyl 2-methyl-2-[[(2S)-oxan-2-yl]methylsulfanyl]propanoate
CID 59268005
methyl 2-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanoate
CID 106493583
ethyl 4-oxo-5-(oxolan-2-ylmethylsulfanyl)pentanoate
CID 106495060
2-ethoxycarbonyl-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 103973806
2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide
CID 106495681
ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate
CID 11788721
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
diethyl 2-ethyl-2-[3-(oxolan-2-yl)propyl]propanedioate
CID 103973035
ethyl 2-(aminomethyl)-3-methyl-2-(oxolan-2-ylmethyl)butanoate
CID 106488607
ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907466

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(oxolan-2-ylmethylsulfanyl)propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(oxolan-2-ylmethylsulfanyl)propanoate (CID 106495711) is ethyl 2-amino-2-cyclopropyl-3-(oxolan-2-ylmethylsulfanyl)propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-(oxolan-2-ylmethylsulfanyl)propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-(oxolan-2-ylmethylsulfanyl)propanoate is CCOC(=O)C(N)(CSCC1CCCO1)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-(oxolan-2-ylmethylsulfanyl)propanoate?
The InChIKey is ZGBAABFUSAPJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S/c1-2-16-12(15)13(14,10-5-6-10)9-18-8-11-4-3-7-17-11/h10-11H,2-9,14H2,1H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-(oxolan-2-ylmethylsulfanyl)propanoate?
ethyl 2-amino-2-cyclopropyl-3-(oxolan-2-ylmethylsulfanyl)propanoate has a molecular weight of 273.40 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-cyclopropyl-3-(oxolan-2-ylmethylsulfanyl)propanoate is sourced from PubChem (CID 106495711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).