trans-(1R,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid

C6H8FNO4 — CID 50902536

IUPACtrans-(1R,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid
SMILESN[C@@]1(C(=O)O)C[C@@]1(F)CC(=O)O
InChIInChI=1S/C6H8FNO4/c7-5(1-3(9)10)2-6(5,8)4(11)12/h1-2,8H2,(H,9,10)(H,11,12)/t5-,6+/m0/s1
InChIKeyNRRIDWGWBHMAMW-NTSWFWBYSA-N
MW177.13 g/mol
LogP-0.64
Rot. Bonds3

About trans-(1R,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid

trans-(1R,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid (PubChem CID 50902536) has the molecular formula C6H8FNO4 and a molecular weight of 177.13 g/mol. Its IUPAC name is trans-(1R,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid
PubChem CID50902536
Molecular FormulaC6H8FNO4
Molecular Weight177.13 g/mol
Exact Mass177.04
IUPAC Nametrans-(1R,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid
SMILESN[C@@]1(C(=O)O)C[C@@]1(F)CC(=O)O
InChIInChI=1S/C6H8FNO4/c7-5(1-3(9)10)2-6(5,8)4(11)12/h1-2,8H2,(H,9,10)(H,11,12)/t5-,6+/m0/s1
InChIKeyNRRIDWGWBHMAMW-NTSWFWBYSA-N
XLogP-0.64
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid (CID 50902536) is trans-(1R,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid is N[C@@]1(C(=O)O)C[C@@]1(F)CC(=O)O.
What is the InChIKey of trans-(1R,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid?
The InChIKey is NRRIDWGWBHMAMW-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H8FNO4/c7-5(1-3(9)10)2-6(5,8)4(11)12/h1-2,8H2,(H,9,10)(H,11,12)/t5-,6+/m0/s1.
What are the key properties of trans-(1R,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid?
trans-(1R,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid has a molecular weight of 177.13 g/mol, XLogP of -0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid is sourced from PubChem (CID 50902536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).