2-[5-[[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]tetrazol-1-yl]acetic acid

C9H15N5O5 — CID 135344240

IUPAC2-[5-[[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]tetrazol-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)N(O)Cc1nnnn1CC(=O)O
InChIInChI=1S/C9H15N5O5/c1-9(2,3)19-8(17)14(18)4-6-10-11-12-13(6)5-7(15)16/h18H,4-5H2,1-3H3,(H,15,16)
InChIKeyVFUCBCNOCUZUCI-UHFFFAOYSA-N
MW273.25 g/mol
LogP-0.12
Rot. Bonds4

About 2-[5-[[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]tetrazol-1-yl]acetic acid

2-[5-[[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]tetrazol-1-yl]acetic acid (PubChem CID 135344240) has the molecular formula C9H15N5O5 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-[5-[[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]tetrazol-1-yl]acetic acid
PubChem CID135344240
Molecular FormulaC9H15N5O5
Molecular Weight273.25 g/mol
Exact Mass273.11
IUPAC Name2-[5-[[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]tetrazol-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)N(O)Cc1nnnn1CC(=O)O
InChIInChI=1S/C9H15N5O5/c1-9(2,3)19-8(17)14(18)4-6-10-11-12-13(6)5-7(15)16/h18H,4-5H2,1-3H3,(H,15,16)
InChIKeyVFUCBCNOCUZUCI-UHFFFAOYSA-N
XLogP-0.12
TPSA130.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 2-[5-[[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]tetrazol-1-yl]acetic acid (CID 135344240) is 2-[5-[[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]tetrazol-1-yl]acetic acid is CC(C)(C)OC(=O)N(O)Cc1nnnn1CC(=O)O.
What is the InChIKey of 2-[5-[[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]tetrazol-1-yl]acetic acid?
The InChIKey is VFUCBCNOCUZUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O5/c1-9(2,3)19-8(17)14(18)4-6-10-11-12-13(6)5-7(15)16/h18H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-[5-[[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]tetrazol-1-yl]acetic acid?
2-[5-[[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]tetrazol-1-yl]acetic acid has a molecular weight of 273.25 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]tetrazol-1-yl]acetic acid is sourced from PubChem (CID 135344240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).