[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(N'-hydroxycarbamimidoyl)thiophen-2-yl]ethyl]carbamic acid

C14H25N3O4SSi — CID 174107527

IUPAC[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(N'-hydroxycarbamimidoyl)thiophen-2-yl]ethyl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](NC(=O)O)c1cc(C(N)=NO)cs1
InChIInChI=1S/C14H25N3O4SSi/c1-14(2,3)23(4,5)21-7-10(16-13(18)19)11-6-9(8-22-11)12(15)17-20/h6,8,10,16,20H,7H2,1-5H3,(H2,15,17)(H,18,19)/t10-/m1/s1
InChIKeyFKAVPRCNGJXMFR-SNVBAGLBSA-N
MW359.52 g/mol
LogP3.17
Rot. Bonds6

About [(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(N'-hydroxycarbamimidoyl)thiophen-2-yl]ethyl]carbamic acid

[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(N'-hydroxycarbamimidoyl)thiophen-2-yl]ethyl]carbamic acid (PubChem CID 174107527) has the molecular formula C14H25N3O4SSi and a molecular weight of 359.52 g/mol. Its IUPAC name is [(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(N'-hydroxycarbamimidoyl)thiophen-2-yl]ethyl]carbamic acid.

Molecular Properties

Compound Name[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(N'-hydroxycarbamimidoyl)thiophen-2-yl]ethyl]carbamic acid
PubChem CID174107527
Molecular FormulaC14H25N3O4SSi
Molecular Weight359.52 g/mol
Exact Mass359.13
IUPAC Name[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(N'-hydroxycarbamimidoyl)thiophen-2-yl]ethyl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](NC(=O)O)c1cc(C(N)=NO)cs1
InChIInChI=1S/C14H25N3O4SSi/c1-14(2,3)23(4,5)21-7-10(16-13(18)19)11-6-9(8-22-11)12(15)17-20/h6,8,10,16,20H,7H2,1-5H3,(H2,15,17)(H,18,19)/t10-/m1/s1
InChIKeyFKAVPRCNGJXMFR-SNVBAGLBSA-N
XLogP3.17
TPSA117.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(N'-hydroxycarbamimidoyl)thiophen-2-yl]ethyl]carbamic acid?
The IUPAC name of [(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(N'-hydroxycarbamimidoyl)thiophen-2-yl]ethyl]carbamic acid (CID 174107527) is [(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(N'-hydroxycarbamimidoyl)thiophen-2-yl]ethyl]carbamic acid.
What is the SMILES notation for [(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(N'-hydroxycarbamimidoyl)thiophen-2-yl]ethyl]carbamic acid?
The canonical SMILES for [(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(N'-hydroxycarbamimidoyl)thiophen-2-yl]ethyl]carbamic acid is CC(C)(C)[Si](C)(C)OC[C@@H](NC(=O)O)c1cc(C(N)=NO)cs1.
What is the InChIKey of [(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(N'-hydroxycarbamimidoyl)thiophen-2-yl]ethyl]carbamic acid?
The InChIKey is FKAVPRCNGJXMFR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H25N3O4SSi/c1-14(2,3)23(4,5)21-7-10(16-13(18)19)11-6-9(8-22-11)12(15)17-20/h6,8,10,16,20H,7H2,1-5H3,(H2,15,17)(H,18,19)/t10-/m1/s1.
What are the key properties of [(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(N'-hydroxycarbamimidoyl)thiophen-2-yl]ethyl]carbamic acid?
[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(N'-hydroxycarbamimidoyl)thiophen-2-yl]ethyl]carbamic acid has a molecular weight of 359.52 g/mol, XLogP of 3.17, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(N'-hydroxycarbamimidoyl)thiophen-2-yl]ethyl]carbamic acid is sourced from PubChem (CID 174107527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).