2-amino-2-hydroxyacetic acid;methylcyclopropane

C6H13NO3 — CID 67301072

IUPAC2-amino-2-hydroxyacetic acid;methylcyclopropane
SMILESCC1CC1.NC(O)C(=O)O
InChIInChI=1S/C4H8.C2H5NO3/c1-4-2-3-4;3-1(4)2(5)6/h4H,2-3H2,1H3;1,4H,3H2,(H,5,6)
InChIKeyVBHHNCOXADMGMV-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.24
Rot. Bonds1

About 2-amino-2-hydroxyacetic acid;methylcyclopropane

2-amino-2-hydroxyacetic acid;methylcyclopropane (PubChem CID 67301072) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-amino-2-hydroxyacetic acid;methylcyclopropane.

Molecular Properties

Compound Name2-amino-2-hydroxyacetic acid;methylcyclopropane
PubChem CID67301072
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-amino-2-hydroxyacetic acid;methylcyclopropane
SMILESCC1CC1.NC(O)C(=O)O
InChIInChI=1S/C4H8.C2H5NO3/c1-4-2-3-4;3-1(4)2(5)6/h4H,2-3H2,1H3;1,4H,3H2,(H,5,6)
InChIKeyVBHHNCOXADMGMV-UHFFFAOYSA-N
XLogP-0.24
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-amino-2-hydroxyacetic acid;methylcyclopropane?
The IUPAC name of 2-amino-2-hydroxyacetic acid;methylcyclopropane (CID 67301072) is 2-amino-2-hydroxyacetic acid;methylcyclopropane.
What is the SMILES notation for 2-amino-2-hydroxyacetic acid;methylcyclopropane?
The canonical SMILES for 2-amino-2-hydroxyacetic acid;methylcyclopropane is CC1CC1.NC(O)C(=O)O.
What is the InChIKey of 2-amino-2-hydroxyacetic acid;methylcyclopropane?
The InChIKey is VBHHNCOXADMGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C2H5NO3/c1-4-2-3-4;3-1(4)2(5)6/h4H,2-3H2,1H3;1,4H,3H2,(H,5,6).
What are the key properties of 2-amino-2-hydroxyacetic acid;methylcyclopropane?
2-amino-2-hydroxyacetic acid;methylcyclopropane has a molecular weight of 147.17 g/mol, XLogP of -0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-hydroxyacetic acid;methylcyclopropane is sourced from PubChem (CID 67301072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).