(2R)-5-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-5-oxopentanoic acid

C9H13N5O4S — CID 107831142

IUPAC(2R)-5-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCc1nsc(NC(=O)N[C@H](CCC(N)=O)C(=O)O)n1
InChIInChI=1S/C9H13N5O4S/c1-4-11-9(19-14-4)13-8(18)12-5(7(16)17)2-3-6(10)15/h5H,2-3H2,1H3,(H2,10,15)(H,16,17)(H2,11,12,13,14,18)/t5-/m1/s1
InChIKeyYGRYPYTXATZALJ-RXMQYKEDSA-N
MW287.30 g/mol
LogP-0.31
Rot. Bonds6

About (2R)-5-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-5-oxopentanoic acid

(2R)-5-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 107831142) has the molecular formula C9H13N5O4S and a molecular weight of 287.30 g/mol. Its IUPAC name is (2R)-5-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-5-oxopentanoic acid
PubChem CID107831142
Molecular FormulaC9H13N5O4S
Molecular Weight287.30 g/mol
Exact Mass287.07
IUPAC Name(2R)-5-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCc1nsc(NC(=O)N[C@H](CCC(N)=O)C(=O)O)n1
InChIInChI=1S/C9H13N5O4S/c1-4-11-9(19-14-4)13-8(18)12-5(7(16)17)2-3-6(10)15/h5H,2-3H2,1H3,(H2,10,15)(H,16,17)(H2,11,12,13,14,18)/t5-/m1/s1
InChIKeyYGRYPYTXATZALJ-RXMQYKEDSA-N
XLogP-0.31
TPSA147.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104874325
(2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104902527
5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
CID 61481097
(2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
CID 107831001
(2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
CID 61203190
(2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-2-phenylacetic acid
CID 104874332
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
(2S)-5-amino-2-[(3,4-dimethylphenyl)carbamoylamino]-5-oxopentanoic acid
CID 61191311
(2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
CID 107830876
(2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106420382
(2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 107831031
(2S)-5-methoxy-5-oxo-2-(thiatriazol-5-ylcarbamoylamino)pentanoic acid
CID 107829375

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-5-oxopentanoic acid (CID 107831142) is (2R)-5-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-5-oxopentanoic acid is Cc1nsc(NC(=O)N[C@H](CCC(N)=O)C(=O)O)n1.
What is the InChIKey of (2R)-5-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is YGRYPYTXATZALJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H13N5O4S/c1-4-11-9(19-14-4)13-8(18)12-5(7(16)17)2-3-6(10)15/h5H,2-3H2,1H3,(H2,10,15)(H,16,17)(H2,11,12,13,14,18)/t5-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 287.30 g/mol, XLogP of -0.31, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 107831142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).