2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetic acid

C7H11NO5 — CID 141276820

IUPAC2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetic acid
SMILESCOC(=O)NC(C(=O)O)C1OC1C
InChIInChI=1S/C7H11NO5/c1-3-5(13-3)4(6(9)10)8-7(11)12-2/h3-5H,1-2H3,(H,8,11)(H,9,10)
InChIKeyJFIGJBWHCFAGCI-UHFFFAOYSA-N
MW189.17 g/mol
LogP-0.42
Rot. Bonds3

About 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetic acid

2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetic acid (PubChem CID 141276820) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetic acid.

Molecular Properties

Compound Name2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetic acid
PubChem CID141276820
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetic acid
SMILESCOC(=O)NC(C(=O)O)C1OC1C
InChIInChI=1S/C7H11NO5/c1-3-5(13-3)4(6(9)10)8-7(11)12-2/h3-5H,1-2H3,(H,8,11)(H,9,10)
InChIKeyJFIGJBWHCFAGCI-UHFFFAOYSA-N
XLogP-0.42
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetic acid?
The IUPAC name of 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetic acid (CID 141276820) is 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetic acid.
What is the SMILES notation for 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetic acid?
The canonical SMILES for 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetic acid is COC(=O)NC(C(=O)O)C1OC1C.
What is the InChIKey of 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetic acid?
The InChIKey is JFIGJBWHCFAGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5/c1-3-5(13-3)4(6(9)10)8-7(11)12-2/h3-5H,1-2H3,(H,8,11)(H,9,10).
What are the key properties of 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetic acid?
2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetic acid has a molecular weight of 189.17 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetic acid is sourced from PubChem (CID 141276820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).