5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid

C12H18N4O4S — CID 61481097

IUPAC5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
SMILESCC(C)c1csc(NC(=O)NC(CCC(N)=O)C(=O)O)n1
InChIInChI=1S/C12H18N4O4S/c1-6(2)8-5-21-12(15-8)16-11(20)14-7(10(18)19)3-4-9(13)17/h5-7H,3-4H2,1-2H3,(H2,13,17)(H,18,19)(H2,14,15,16,20)
InChIKeyVEKVVZBPESRCSN-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.11
Rot. Bonds7

About 5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid

5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid (PubChem CID 61481097) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is 5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
PubChem CID61481097
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
SMILESCC(C)c1csc(NC(=O)NC(CCC(N)=O)C(=O)O)n1
InChIInChI=1S/C12H18N4O4S/c1-6(2)8-5-21-12(15-8)16-11(20)14-7(10(18)19)3-4-9(13)17/h5-7H,3-4H2,1-2H3,(H2,13,17)(H,18,19)(H2,14,15,16,20)
InChIKeyVEKVVZBPESRCSN-UHFFFAOYSA-N
XLogP1.11
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid with MolForge

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Related Compounds

(2R)-5-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-5-oxopentanoic acid
CID 107831142
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide
CID 107025335
(2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
CID 107831001
4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 61482708
2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid
CID 61193061
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
CID 103616001
(2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid
CID 107830223
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 103794300
(2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 107831031
N-(2-amino-2-sulfanylideneethyl)-N'-(4-propan-2-yl-1,3-thiazol-2-yl)oxamide
CID 54959134
5-amino-5-oxo-2-(1,2,4-triazin-3-ylcarbamoylamino)pentanoic acid
CID 114388732

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid (CID 61481097) is 5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid is CC(C)c1csc(NC(=O)NC(CCC(N)=O)C(=O)O)n1.
What is the InChIKey of 5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid?
The InChIKey is VEKVVZBPESRCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-6(2)8-5-21-12(15-8)16-11(20)14-7(10(18)19)3-4-9(13)17/h5-7H,3-4H2,1-2H3,(H2,13,17)(H,18,19)(H2,14,15,16,20).
What are the key properties of 5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid?
5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid has a molecular weight of 314.37 g/mol, XLogP of 1.11, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 61481097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).