methyl 2-hydroxy-2-[[(1R,2R)-2-methylcyclopropyl]oxycarbonylamino]acetate

C8H13NO5 — CID 122576102

IUPACmethyl 2-hydroxy-2-[[(1R,2R)-2-methylcyclopropyl]oxycarbonylamino]acetate
SMILESCOC(=O)C(O)NC(=O)O[C@@H]1C[C@H]1C
InChIInChI=1S/C8H13NO5/c1-4-3-5(4)14-8(12)9-6(10)7(11)13-2/h4-6,10H,3H2,1-2H3,(H,9,12)/t4-,5-,6?/m1/s1
InChIKeyVHHRXQNNGWWOBB-QYRBDRAASA-N
MW203.19 g/mol
LogP-0.39
Rot. Bonds3

About methyl 2-hydroxy-2-[[(1R,2R)-2-methylcyclopropyl]oxycarbonylamino]acetate

methyl 2-hydroxy-2-[[(1R,2R)-2-methylcyclopropyl]oxycarbonylamino]acetate (PubChem CID 122576102) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[[(1R,2R)-2-methylcyclopropyl]oxycarbonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[[(1R,2R)-2-methylcyclopropyl]oxycarbonylamino]acetate
PubChem CID122576102
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Namemethyl 2-hydroxy-2-[[(1R,2R)-2-methylcyclopropyl]oxycarbonylamino]acetate
SMILESCOC(=O)C(O)NC(=O)O[C@@H]1C[C@H]1C
InChIInChI=1S/C8H13NO5/c1-4-3-5(4)14-8(12)9-6(10)7(11)13-2/h4-6,10H,3H2,1-2H3,(H,9,12)/t4-,5-,6?/m1/s1
InChIKeyVHHRXQNNGWWOBB-QYRBDRAASA-N
XLogP-0.39
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[[(1R,2R)-2-methylcyclopropyl]oxycarbonylamino]acetate?
The IUPAC name of methyl 2-hydroxy-2-[[(1R,2R)-2-methylcyclopropyl]oxycarbonylamino]acetate (CID 122576102) is methyl 2-hydroxy-2-[[(1R,2R)-2-methylcyclopropyl]oxycarbonylamino]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[[(1R,2R)-2-methylcyclopropyl]oxycarbonylamino]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[[(1R,2R)-2-methylcyclopropyl]oxycarbonylamino]acetate is COC(=O)C(O)NC(=O)O[C@@H]1C[C@H]1C.
What is the InChIKey of methyl 2-hydroxy-2-[[(1R,2R)-2-methylcyclopropyl]oxycarbonylamino]acetate?
The InChIKey is VHHRXQNNGWWOBB-QYRBDRAASA-N. The full InChI is InChI=1S/C8H13NO5/c1-4-3-5(4)14-8(12)9-6(10)7(11)13-2/h4-6,10H,3H2,1-2H3,(H,9,12)/t4-,5-,6?/m1/s1.
What are the key properties of methyl 2-hydroxy-2-[[(1R,2R)-2-methylcyclopropyl]oxycarbonylamino]acetate?
methyl 2-hydroxy-2-[[(1R,2R)-2-methylcyclopropyl]oxycarbonylamino]acetate has a molecular weight of 203.19 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[[(1R,2R)-2-methylcyclopropyl]oxycarbonylamino]acetate is sourced from PubChem (CID 122576102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).