3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid

C7H15N3O6S — CID 61202621

IUPAC3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid
SMILESCS(=O)(=O)NCCNC(=O)NC(CO)C(=O)O
InChIInChI=1S/C7H15N3O6S/c1-17(15,16)9-3-2-8-7(14)10-5(4-11)6(12)13/h5,9,11H,2-4H2,1H3,(H,12,13)(H2,8,10,14)
InChIKeyYXQYCKWRNGNZMG-UHFFFAOYSA-N
MW269.28 g/mol
LogP-2.72
Rot. Bonds7

About 3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid

3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid (PubChem CID 61202621) has the molecular formula C7H15N3O6S and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid
PubChem CID61202621
Molecular FormulaC7H15N3O6S
Molecular Weight269.28 g/mol
Exact Mass269.07
IUPAC Name3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid
SMILESCS(=O)(=O)NCCNC(=O)NC(CO)C(=O)O
InChIInChI=1S/C7H15N3O6S/c1-17(15,16)9-3-2-8-7(14)10-5(4-11)6(12)13/h5,9,11H,2-4H2,1H3,(H,12,13)(H2,8,10,14)
InChIKeyYXQYCKWRNGNZMG-UHFFFAOYSA-N
XLogP-2.72
TPSA144.83 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-2.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(methanesulfonamido)ethylcarbamoylamino]-4-methylpentanoic acid
CID 61201865
2-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid
CID 61200748
3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid
CID 61206300
(2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid
CID 106340386
(2R)-4-amino-2-[3-(methanesulfonamido)propylcarbamoylamino]-4-oxobutanoic acid
CID 106340374
(2S)-3-hydroxy-2-(3-methylbutylcarbamoylamino)propanoic acid
CID 61185829
2-[3-(methanesulfonamido)propylcarbamoylamino]pent-4-enoic acid
CID 106340387
(2R)-3-(1H-imidazol-5-yl)-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid
CID 104895018
(2S)-2-[3-(dimethylamino)propylcarbamoylamino]-3-hydroxypropanoic acid
CID 61190739
(2R)-2-[3-(dimethylamino)propylcarbamoylamino]-3-hydroxypropanoic acid
CID 80757649
3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 113410923
(2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 80751293

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid (CID 61202621) is 3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid is CS(=O)(=O)NCCNC(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid?
The InChIKey is YXQYCKWRNGNZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O6S/c1-17(15,16)9-3-2-8-7(14)10-5(4-11)6(12)13/h5,9,11H,2-4H2,1H3,(H,12,13)(H2,8,10,14).
What are the key properties of 3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid?
3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid has a molecular weight of 269.28 g/mol, XLogP of -2.72, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 61202621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).