cis-(1S,2R)-1-amino-2-[2-(2-aminoethylsulfonylamino)ethyl]cyclopropane-1-carboxylic acid

C8H17N3O4S — CID 102246407

IUPACcis-(1S,2R)-1-amino-2-[2-(2-aminoethylsulfonylamino)ethyl]cyclopropane-1-carboxylic acid
SMILESNCCS(=O)(=O)NCC[C@@H]1C[C@@]1(N)C(=O)O
InChIInChI=1S/C8H17N3O4S/c9-2-4-16(14,15)11-3-1-6-5-8(6,10)7(12)13/h6,11H,1-5,9-10H2,(H,12,13)/t6-,8+/m1/s1
InChIKeyYNKUQIQTQRKDNG-SVRRBLITSA-N
MW251.31 g/mol
LogP-1.94
Rot. Bonds7

About cis-(1S,2R)-1-amino-2-[2-(2-aminoethylsulfonylamino)ethyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-1-amino-2-[2-(2-aminoethylsulfonylamino)ethyl]cyclopropane-1-carboxylic acid (PubChem CID 102246407) has the molecular formula C8H17N3O4S and a molecular weight of 251.31 g/mol. Its IUPAC name is cis-(1S,2R)-1-amino-2-[2-(2-aminoethylsulfonylamino)ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-1-amino-2-[2-(2-aminoethylsulfonylamino)ethyl]cyclopropane-1-carboxylic acid
PubChem CID102246407
Molecular FormulaC8H17N3O4S
Molecular Weight251.31 g/mol
Exact Mass251.09
IUPAC Namecis-(1S,2R)-1-amino-2-[2-(2-aminoethylsulfonylamino)ethyl]cyclopropane-1-carboxylic acid
SMILESNCCS(=O)(=O)NCC[C@@H]1C[C@@]1(N)C(=O)O
InChIInChI=1S/C8H17N3O4S/c9-2-4-16(14,15)11-3-1-6-5-8(6,10)7(12)13/h6,11H,1-5,9-10H2,(H,12,13)/t6-,8+/m1/s1
InChIKeyYNKUQIQTQRKDNG-SVRRBLITSA-N
XLogP-1.94
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-1.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 87239494
trans-(1S,2S)-1-amino-2-[(3R)-3-amino-3-carboxypropyl]cyclopropane-1-carboxylic acid
CID 10584245
1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 75132599
2-amino-N-(2-sulfamoylethyl)ethanesulfonamide
CID 43552164
4-(2-aminoethylsulfonylamino)-N-cyclopropylbutanamide
CID 79394622
trans-(1S,2R)-1-amino-2-[(diaminomethylideneamino)methyl]cyclopropane-1-carboxylic acid
CID 162853254
2-amino-N-(2-cyclohexyloxyethyl)ethanesulfonamide
CID 63827888
3-(2-aminoethylsulfonylamino)azetidine-1-carboxylic acid
CID 143330375
3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972503
3-[2-[(2S)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972731
cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid
CID 10329917
2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide
CID 106427174

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-amino-2-[2-(2-aminoethylsulfonylamino)ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-1-amino-2-[2-(2-aminoethylsulfonylamino)ethyl]cyclopropane-1-carboxylic acid (CID 102246407) is cis-(1S,2R)-1-amino-2-[2-(2-aminoethylsulfonylamino)ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-1-amino-2-[2-(2-aminoethylsulfonylamino)ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-1-amino-2-[2-(2-aminoethylsulfonylamino)ethyl]cyclopropane-1-carboxylic acid is NCCS(=O)(=O)NCC[C@@H]1C[C@@]1(N)C(=O)O.
What is the InChIKey of cis-(1S,2R)-1-amino-2-[2-(2-aminoethylsulfonylamino)ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is YNKUQIQTQRKDNG-SVRRBLITSA-N. The full InChI is InChI=1S/C8H17N3O4S/c9-2-4-16(14,15)11-3-1-6-5-8(6,10)7(12)13/h6,11H,1-5,9-10H2,(H,12,13)/t6-,8+/m1/s1.
What are the key properties of cis-(1S,2R)-1-amino-2-[2-(2-aminoethylsulfonylamino)ethyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-1-amino-2-[2-(2-aminoethylsulfonylamino)ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 251.31 g/mol, XLogP of -1.94, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-amino-2-[2-(2-aminoethylsulfonylamino)ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 102246407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).