5-amino-2-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid

C11H19N3O4S — CID 61198358

IUPAC5-amino-2-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCN(C(=O)NC(CCC(N)=O)C(=O)O)C1CCSC1
InChIInChI=1S/C11H19N3O4S/c1-14(7-4-5-19-6-7)11(18)13-8(10(16)17)2-3-9(12)15/h7-8H,2-6H2,1H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyDVHJGGKJIGTGDS-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.15
Rot. Bonds6

About 5-amino-2-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid

5-amino-2-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 61198358) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-amino-2-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID61198358
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name5-amino-2-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCN(C(=O)NC(CCC(N)=O)C(=O)O)C1CCSC1
InChIInChI=1S/C11H19N3O4S/c1-14(7-4-5-19-6-7)11(18)13-8(10(16)17)2-3-9(12)15/h7-8H,2-6H2,1H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyDVHJGGKJIGTGDS-UHFFFAOYSA-N
XLogP-0.15
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid
CID 61229307
(2S)-5-amino-2-[[cyclopentyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61195271
5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61201089
3-cyclopropyl-2-[[methyl(thiolan-3-yl)carbamoyl]amino]propanoic acid
CID 112735091
(2R)-5-amino-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830602
5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 61408490
2-[[methyl(thiolan-3-yl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61197223
(2R)-3,3-dimethyl-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid
CID 113353161
2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194163
(2R)-5-amino-2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830743
(2S)-3-(1H-imidazol-5-yl)-2-[[methyl(thiolan-3-yl)carbamoyl]amino]propanoic acid
CID 61197411
(2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61443524

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid (CID 61198358) is 5-amino-2-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid is CN(C(=O)NC(CCC(N)=O)C(=O)O)C1CCSC1.
What is the InChIKey of 5-amino-2-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is DVHJGGKJIGTGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-14(7-4-5-19-6-7)11(18)13-8(10(16)17)2-3-9(12)15/h7-8H,2-6H2,1H3,(H2,12,15)(H,13,18)(H,16,17).
What are the key properties of 5-amino-2-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid?
5-amino-2-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 289.36 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 61198358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).