2-(carboxyamino)acetic acid;furan

C7H9NO5 — CID 69133909

IUPAC2-(carboxyamino)acetic acid;furan
SMILESO=C(O)CNC(=O)O.c1ccoc1
InChIInChI=1S/C4H4O.C3H5NO4/c1-2-4-5-3-1;5-2(6)1-4-3(7)8/h1-4H;4H,1H2,(H,5,6)(H,7,8)
InChIKeyZNEZVKSOKHPBAD-UHFFFAOYSA-N
MW187.15 g/mol
LogP0.62
Rot. Bonds2

About 2-(carboxyamino)acetic acid;furan

2-(carboxyamino)acetic acid;furan (PubChem CID 69133909) has the molecular formula C7H9NO5 and a molecular weight of 187.15 g/mol. Its IUPAC name is 2-(carboxyamino)acetic acid;furan.

Molecular Properties

Compound Name2-(carboxyamino)acetic acid;furan
PubChem CID69133909
Molecular FormulaC7H9NO5
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Name2-(carboxyamino)acetic acid;furan
SMILESO=C(O)CNC(=O)O.c1ccoc1
InChIInChI=1S/C4H4O.C3H5NO4/c1-2-4-5-3-1;5-2(6)1-4-3(7)8/h1-4H;4H,1H2,(H,5,6)(H,7,8)
InChIKeyZNEZVKSOKHPBAD-UHFFFAOYSA-N
XLogP0.62
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carboxyamino)acetic acid;furan?
The IUPAC name of 2-(carboxyamino)acetic acid;furan (CID 69133909) is 2-(carboxyamino)acetic acid;furan.
What is the SMILES notation for 2-(carboxyamino)acetic acid;furan?
The canonical SMILES for 2-(carboxyamino)acetic acid;furan is O=C(O)CNC(=O)O.c1ccoc1.
What is the InChIKey of 2-(carboxyamino)acetic acid;furan?
The InChIKey is ZNEZVKSOKHPBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O.C3H5NO4/c1-2-4-5-3-1;5-2(6)1-4-3(7)8/h1-4H;4H,1H2,(H,5,6)(H,7,8).
What are the key properties of 2-(carboxyamino)acetic acid;furan?
2-(carboxyamino)acetic acid;furan has a molecular weight of 187.15 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxyamino)acetic acid;furan is sourced from PubChem (CID 69133909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).