2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene

C9H11NO3 — CID 70461893

IUPAC2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene
SMILESNC(CO)C(=O)O.c1cc2cc-2c1
InChIInChI=1S/C6H4.C3H7NO3/c1-2-5-4-6(5)3-1;4-2(1-5)3(6)7/h1-4H;2,5H,1,4H2,(H,6,7)
InChIKeyMMGMJPRRUITHMF-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.06
Rot. Bonds2

About 2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene

2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene (PubChem CID 70461893) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene.

Molecular Properties

Compound Name2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene
PubChem CID70461893
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene
SMILESNC(CO)C(=O)O.c1cc2cc-2c1
InChIInChI=1S/C6H4.C3H7NO3/c1-2-5-4-6(5)3-1;4-2(1-5)3(6)7/h1-4H;2,5H,1,4H2,(H,6,7)
InChIKeyMMGMJPRRUITHMF-UHFFFAOYSA-N
XLogP0.06
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene?
The IUPAC name of 2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene (CID 70461893) is 2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene.
What is the SMILES notation for 2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene?
The canonical SMILES for 2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene is NC(CO)C(=O)O.c1cc2cc-2c1.
What is the InChIKey of 2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene?
The InChIKey is MMGMJPRRUITHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C3H7NO3/c1-2-5-4-6(5)3-1;4-2(1-5)3(6)7/h1-4H;2,5H,1,4H2,(H,6,7).
What are the key properties of 2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene?
2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene has a molecular weight of 181.19 g/mol, XLogP of 0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene is sourced from PubChem (CID 70461893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).