benzyl 2-methyl-3-(sulfamoylamino)propanoate

C11H16N2O4S — CID 174669521

IUPACbenzyl 2-methyl-3-(sulfamoylamino)propanoate
SMILESCC(CNS(N)(=O)=O)C(=O)OCc1ccccc1
InChIInChI=1S/C11H16N2O4S/c1-9(7-13-18(12,15)16)11(14)17-8-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H2,12,15,16)
InChIKeyDDXNSLCYEBCBEP-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.16
Rot. Bonds6

About benzyl 2-methyl-3-(sulfamoylamino)propanoate

benzyl 2-methyl-3-(sulfamoylamino)propanoate (PubChem CID 174669521) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is benzyl 2-methyl-3-(sulfamoylamino)propanoate.

Molecular Properties

Compound Namebenzyl 2-methyl-3-(sulfamoylamino)propanoate
PubChem CID174669521
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namebenzyl 2-methyl-3-(sulfamoylamino)propanoate
SMILESCC(CNS(N)(=O)=O)C(=O)OCc1ccccc1
InChIInChI=1S/C11H16N2O4S/c1-9(7-13-18(12,15)16)11(14)17-8-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H2,12,15,16)
InChIKeyDDXNSLCYEBCBEP-UHFFFAOYSA-N
XLogP0.16
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2R)-2-methyl-3-(methylamino)propanoate
CID 131170402
benzyl 3-[2-(methanesulfonamido)ethylamino]-2-methylpropanoate
CID 106483936
benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate
CID 22876656
benzyl 3-(2,2-difluoroethylamino)-2-methylpropanoate
CID 106484104
benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
benzyl 2-methyl-3-(prop-2-ynylamino)propanoate
CID 106483863
(2S)-4-methyl-2-[(2-methyl-3-oxo-3-phenylmethoxypropyl)amino]pentanoic acid
CID 18661239
benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate
CID 106484144
benzyl 3-(butylamino)-2-methylpropanoate
CID 106483881
benzyl 3-(2-iodoanilino)-2-methylpropanoate
CID 106483912
benzyl 3-butan-2-ylsulfonyl-2-methylpropanoate
CID 106483851
benzyl (2S)-2-aminopropanoate
CID 726858

Frequently Asked Questions

What is the IUPAC name of benzyl 2-methyl-3-(sulfamoylamino)propanoate?
The IUPAC name of benzyl 2-methyl-3-(sulfamoylamino)propanoate (CID 174669521) is benzyl 2-methyl-3-(sulfamoylamino)propanoate.
What is the SMILES notation for benzyl 2-methyl-3-(sulfamoylamino)propanoate?
The canonical SMILES for benzyl 2-methyl-3-(sulfamoylamino)propanoate is CC(CNS(N)(=O)=O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-methyl-3-(sulfamoylamino)propanoate?
The InChIKey is DDXNSLCYEBCBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-9(7-13-18(12,15)16)11(14)17-8-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H2,12,15,16).
What are the key properties of benzyl 2-methyl-3-(sulfamoylamino)propanoate?
benzyl 2-methyl-3-(sulfamoylamino)propanoate has a molecular weight of 272.33 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methyl-3-(sulfamoylamino)propanoate is sourced from PubChem (CID 174669521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).