ethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate

C13H26N2O5S — CID 61022871

IUPACethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate
SMILESCCCS(=O)(=O)NC(C)C(=O)N(CC(=O)OCC)C(C)C
InChIInChI=1S/C13H26N2O5S/c1-6-8-21(18,19)14-11(5)13(17)15(10(3)4)9-12(16)20-7-2/h10-11,14H,6-9H2,1-5H3
InChIKeyRDPJFYDXIIOZHH-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.50
Rot. Bonds9

About ethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate

ethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate (PubChem CID 61022871) has the molecular formula C13H26N2O5S and a molecular weight of 322.43 g/mol. Its IUPAC name is ethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate
PubChem CID61022871
Molecular FormulaC13H26N2O5S
Molecular Weight322.43 g/mol
Exact Mass322.16
IUPAC Nameethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate
SMILESCCCS(=O)(=O)NC(C)C(=O)N(CC(=O)OCC)C(C)C
InChIInChI=1S/C13H26N2O5S/c1-6-8-21(18,19)14-11(5)13(17)15(10(3)4)9-12(16)20-7-2/h10-11,14H,6-9H2,1-5H3
InChIKeyRDPJFYDXIIOZHH-UHFFFAOYSA-N
XLogP0.50
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate
CID 115538843
N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylsulfonylamino)propanamide
CID 43573547
3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methyl-3-oxopropanoic acid
CID 114897747
ethyl 2-[(3-amino-2-methylpropanoyl)-propan-2-ylamino]acetate
CID 62670368
ethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate
CID 113416241
ethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate
CID 106112261
4-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]butanoic acid
CID 60825554
2-[carboxymethyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid
CID 63650978
(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 78972767
ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]-propan-2-ylamino]acetate
CID 61158746
ethyl 2-[[2-(carbamoylamino)-3-methylbutanoyl]-propan-2-ylamino]acetate
CID 61021307
ethyl 2-(3-methylbutylsulfonylamino)propanoate
CID 55259465

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate?
The IUPAC name of ethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate (CID 61022871) is ethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate is CCCS(=O)(=O)NC(C)C(=O)N(CC(=O)OCC)C(C)C.
What is the InChIKey of ethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate?
The InChIKey is RDPJFYDXIIOZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5S/c1-6-8-21(18,19)14-11(5)13(17)15(10(3)4)9-12(16)20-7-2/h10-11,14H,6-9H2,1-5H3.
What are the key properties of ethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate?
ethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate has a molecular weight of 322.43 g/mol, XLogP of 0.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate is sourced from PubChem (CID 61022871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).