ethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate

C12H22N2O5S — CID 60811787

IUPACethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCC(=O)OCC
InChIInChI=1S/C12H22N2O5S/c1-3-8-20(17,18)14-7-5-6-10(14)12(16)13-9-11(15)19-4-2/h10H,3-9H2,1-2H3,(H,13,16)
InChIKeyBZHFGRYTHYTVAQ-UHFFFAOYSA-N
MW306.38 g/mol
LogP-0.13
Rot. Bonds7

About ethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate

ethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate (PubChem CID 60811787) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is ethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate
PubChem CID60811787
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Nameethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCC(=O)OCC
InChIInChI=1S/C12H22N2O5S/c1-3-8-20(17,18)14-7-5-6-10(14)12(16)13-9-11(15)19-4-2/h10H,3-9H2,1-2H3,(H,13,16)
InChIKeyBZHFGRYTHYTVAQ-UHFFFAOYSA-N
XLogP-0.13
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119383139
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119383138
N-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119496331
2-hydroxy-2-methyl-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 66171979
(2S)-2-hydroxy-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 107833370
4-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 43355013
N-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 65036791
2-methoxy-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 106107643
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
methyl 2-[[2-[4-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55880512
ethyl 2-[[(3R)-4-(2-propan-2-yloxyethylsulfonyl)morpholine-3-carbonyl]amino]acetate
CID 97342113
2,4-dimethyl-2-[[(1-propylsulfonylpiperidine-2-carbonyl)amino]methyl]pentanoic acid
CID 155964637

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate (CID 60811787) is ethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate is CCCS(=O)(=O)N1CCCC1C(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate?
The InChIKey is BZHFGRYTHYTVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-3-8-20(17,18)14-7-5-6-10(14)12(16)13-9-11(15)19-4-2/h10H,3-9H2,1-2H3,(H,13,16).
What are the key properties of ethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate?
ethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate has a molecular weight of 306.38 g/mol, XLogP of -0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate is sourced from PubChem (CID 60811787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).