2-(2-propylsulfonylethylcarbamoylamino)propanoic acid

C9H18N2O5S — CID 106722813

IUPAC2-(2-propylsulfonylethylcarbamoylamino)propanoic acid
SMILESCCCS(=O)(=O)CCNC(=O)NC(C)C(=O)O
InChIInChI=1S/C9H18N2O5S/c1-3-5-17(15,16)6-4-10-9(14)11-7(2)8(12)13/h7H,3-6H2,1-2H3,(H,12,13)(H2,10,11,14)
InChIKeyUNCJNLHSYZRZOJ-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.42
Rot. Bonds7

About 2-(2-propylsulfonylethylcarbamoylamino)propanoic acid

2-(2-propylsulfonylethylcarbamoylamino)propanoic acid (PubChem CID 106722813) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(2-propylsulfonylethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-propylsulfonylethylcarbamoylamino)propanoic acid
PubChem CID106722813
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name2-(2-propylsulfonylethylcarbamoylamino)propanoic acid
SMILESCCCS(=O)(=O)CCNC(=O)NC(C)C(=O)O
InChIInChI=1S/C9H18N2O5S/c1-3-5-17(15,16)6-4-10-9(14)11-7(2)8(12)13/h7H,3-6H2,1-2H3,(H,12,13)(H2,10,11,14)
InChIKeyUNCJNLHSYZRZOJ-UHFFFAOYSA-N
XLogP-0.42
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid
CID 106722812
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
(2S)-2-(2-aminoethylcarbamoylamino)propanoic acid
CID 61403135
2-(2-ethylsulfonylethylcarbamoylamino)-3-hydroxybutanoic acid
CID 114111684
(2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid
CID 61184562
N-(2-propylsulfonylethyl)acetamide
CID 142065321
2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
CID 61201929
(2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82943097
2-(2-ethylsulfonylethylamino)propanoic acid
CID 43808018
(2S)-2-[4-(dimethylamino)butylcarbamoylamino]propanoic acid
CID 78979186
(2S)-2-(2-propan-2-yloxyethylcarbamoylamino)propanoic acid
CID 104763805
(2S)-2-(propylsulfonylamino)propanoic acid
CID 7130952

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylsulfonylethylcarbamoylamino)propanoic acid?
The IUPAC name of 2-(2-propylsulfonylethylcarbamoylamino)propanoic acid (CID 106722813) is 2-(2-propylsulfonylethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-(2-propylsulfonylethylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-(2-propylsulfonylethylcarbamoylamino)propanoic acid is CCCS(=O)(=O)CCNC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-(2-propylsulfonylethylcarbamoylamino)propanoic acid?
The InChIKey is UNCJNLHSYZRZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-3-5-17(15,16)6-4-10-9(14)11-7(2)8(12)13/h7H,3-6H2,1-2H3,(H,12,13)(H2,10,11,14).
What are the key properties of 2-(2-propylsulfonylethylcarbamoylamino)propanoic acid?
2-(2-propylsulfonylethylcarbamoylamino)propanoic acid has a molecular weight of 266.32 g/mol, XLogP of -0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylsulfonylethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 106722813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).