[(2R,3S)-2-[(3-methyl-1,2,4-triazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid

C8H11N5O3 — CID 118393772

IUPAC[(2R,3S)-2-[(3-methyl-1,2,4-triazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid
SMILESCc1ncn(C[C@H]2NC(=O)[C@H]2NC(=O)O)n1
InChIInChI=1S/C8H11N5O3/c1-4-9-3-13(12-4)2-5-6(7(14)10-5)11-8(15)16/h3,5-6,11H,2H2,1H3,(H,10,14)(H,15,16)/t5-,6+/m1/s1
InChIKeyFKJSITIJCQIIMA-RITPCOANSA-N
MW225.21 g/mol
LogP-1.28
Rot. Bonds3

About [(2R,3S)-2-[(3-methyl-1,2,4-triazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid

[(2R,3S)-2-[(3-methyl-1,2,4-triazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid (PubChem CID 118393772) has the molecular formula C8H11N5O3 and a molecular weight of 225.21 g/mol. Its IUPAC name is [(2R,3S)-2-[(3-methyl-1,2,4-triazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(2R,3S)-2-[(3-methyl-1,2,4-triazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid
PubChem CID118393772
Molecular FormulaC8H11N5O3
Molecular Weight225.21 g/mol
Exact Mass225.09
IUPAC Name[(2R,3S)-2-[(3-methyl-1,2,4-triazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid
SMILESCc1ncn(C[C@H]2NC(=O)[C@H]2NC(=O)O)n1
InChIInChI=1S/C8H11N5O3/c1-4-9-3-13(12-4)2-5-6(7(14)10-5)11-8(15)16/h3,5-6,11H,2H2,1H3,(H,10,14)(H,15,16)/t5-,6+/m1/s1
InChIKeyFKJSITIJCQIIMA-RITPCOANSA-N
XLogP-1.28
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(2R,3S)-2-[(3-methyl-1,2,4-triazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid with MolForge

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Related Compounds

[(2S,3S)-2-[(5-methyltetrazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid
CID 118475494
[(3S,4S)-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidin-3-yl]carbamic acid
CID 118394058
[(3S,4S,5S)-4,5-dimethyl-2-oxopyrrolidin-3-yl]carbamic acid
CID 166728578
[(2S,3S)-2-[[2-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]phenyl]methyl]-4-oxoazetidin-3-yl]carbamic acid
CID 118915640
[(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate
CID 11821934
N-[(3S,4S)-2-oxo-4-(tritylsulfanylmethyl)azetidin-3-yl]-2-phenoxyacetamide
CID 54478307
2-methyl-2-[(Z)-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-[[(2S)-2-[(4-methyltriazol-2-yl)methyl]-4-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxypropanoic acid
CID 118393684
3-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]propanoic acid
CID 82513032
benzyl-[(2S,3S)-2-[(5-methyl-1,2,4-triazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid
CID 118379602
tert-butyl 2-[(Z)-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxo-2-[[(3S,4R)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)azetidin-3-yl]amino]ethylidene]amino]oxypropanoate
CID 118380045
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide
CID 104956597
2-methyl-2-(3-methyl-1,2,4-triazol-1-yl)propanoic acid
CID 82512113

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-[(3-methyl-1,2,4-triazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid?
The IUPAC name of [(2R,3S)-2-[(3-methyl-1,2,4-triazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid (CID 118393772) is [(2R,3S)-2-[(3-methyl-1,2,4-triazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid.
What is the SMILES notation for [(2R,3S)-2-[(3-methyl-1,2,4-triazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid?
The canonical SMILES for [(2R,3S)-2-[(3-methyl-1,2,4-triazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid is Cc1ncn(C[C@H]2NC(=O)[C@H]2NC(=O)O)n1.
What is the InChIKey of [(2R,3S)-2-[(3-methyl-1,2,4-triazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid?
The InChIKey is FKJSITIJCQIIMA-RITPCOANSA-N. The full InChI is InChI=1S/C8H11N5O3/c1-4-9-3-13(12-4)2-5-6(7(14)10-5)11-8(15)16/h3,5-6,11H,2H2,1H3,(H,10,14)(H,15,16)/t5-,6+/m1/s1.
What are the key properties of [(2R,3S)-2-[(3-methyl-1,2,4-triazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid?
[(2R,3S)-2-[(3-methyl-1,2,4-triazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid has a molecular weight of 225.21 g/mol, XLogP of -1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-[(3-methyl-1,2,4-triazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid is sourced from PubChem (CID 118393772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).