(2R)-5-amino-2-(cyanomethylsulfonylamino)-5-oxopentanoic acid

C7H11N3O5S — CID 107830160

IUPAC(2R)-5-amino-2-(cyanomethylsulfonylamino)-5-oxopentanoic acid
SMILESN#CCS(=O)(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C7H11N3O5S/c8-3-4-16(14,15)10-5(7(12)13)1-2-6(9)11/h5,10H,1-2,4H2,(H2,9,11)(H,12,13)/t5-/m1/s1
InChIKeyZEHUGCLPJXKQLQ-RXMQYKEDSA-N
MW249.25 g/mol
LogP-1.85
Rot. Bonds7

About (2R)-5-amino-2-(cyanomethylsulfonylamino)-5-oxopentanoic acid

(2R)-5-amino-2-(cyanomethylsulfonylamino)-5-oxopentanoic acid (PubChem CID 107830160) has the molecular formula C7H11N3O5S and a molecular weight of 249.25 g/mol. Its IUPAC name is (2R)-5-amino-2-(cyanomethylsulfonylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-(cyanomethylsulfonylamino)-5-oxopentanoic acid
PubChem CID107830160
Molecular FormulaC7H11N3O5S
Molecular Weight249.25 g/mol
Exact Mass249.04
IUPAC Name(2R)-5-amino-2-(cyanomethylsulfonylamino)-5-oxopentanoic acid
SMILESN#CCS(=O)(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C7H11N3O5S/c8-3-4-16(14,15)10-5(7(12)13)1-2-6(9)11/h5,10H,1-2,4H2,(H2,9,11)(H,12,13)/t5-/m1/s1
InChIKeyZEHUGCLPJXKQLQ-RXMQYKEDSA-N
XLogP-1.85
TPSA150.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-5-amino-2-(1-cyanopropylsulfonylamino)-5-oxopentanoic acid
CID 107830169
5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid
CID 61456673
(2S)-5-amino-2-(3-methoxypropylsulfonylamino)-5-oxopentanoic acid
CID 55172494
(2S)-5-amino-2-[(3-cyanophenyl)sulfonylamino]-5-oxopentanoic acid
CID 28527492
(2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid
CID 104935540
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
5-amino-5-oxo-2-[[(E)-2-phenylethenyl]sulfonylamino]pentanoic acid
CID 43237908
(2S)-5-amino-2-(3-methylsulfonylpropanoylamino)-5-oxopentanoic acid
CID 61144470
(2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141276
5-amino-5-oxo-2-[(2-sulfoacetyl)amino]pentanoic acid
CID 175084988
5-amino-2-(methanesulfonamido)-5-oxopentanoic acid;benzene;2-(sulfonylamino)acetic acid
CID 174953505
(2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid
CID 59039488

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(cyanomethylsulfonylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-(cyanomethylsulfonylamino)-5-oxopentanoic acid (CID 107830160) is (2R)-5-amino-2-(cyanomethylsulfonylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-(cyanomethylsulfonylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-(cyanomethylsulfonylamino)-5-oxopentanoic acid is N#CCS(=O)(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-(cyanomethylsulfonylamino)-5-oxopentanoic acid?
The InChIKey is ZEHUGCLPJXKQLQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11N3O5S/c8-3-4-16(14,15)10-5(7(12)13)1-2-6(9)11/h5,10H,1-2,4H2,(H2,9,11)(H,12,13)/t5-/m1/s1.
What are the key properties of (2R)-5-amino-2-(cyanomethylsulfonylamino)-5-oxopentanoic acid?
(2R)-5-amino-2-(cyanomethylsulfonylamino)-5-oxopentanoic acid has a molecular weight of 249.25 g/mol, XLogP of -1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-(cyanomethylsulfonylamino)-5-oxopentanoic acid is sourced from PubChem (CID 107830160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).