cis-(1S,2R)-1-amino-2-(hydroxymethyl)cyclobutane-1-carboxylic acid

C6H11NO3 — CID 11804894

IUPACcis-(1S,2R)-1-amino-2-(hydroxymethyl)cyclobutane-1-carboxylic acid
SMILESN[C@@]1(C(=O)O)CC[C@H]1CO
InChIInChI=1S/C6H11NO3/c7-6(5(9)10)2-1-4(6)3-8/h4,8H,1-3,7H2,(H,9,10)/t4-,6-/m0/s1
InChIKeyCXBOBABAALGALT-NJGYIYPDSA-N
MW145.16 g/mol
LogP-0.83
Rot. Bonds2

About cis-(1S,2R)-1-amino-2-(hydroxymethyl)cyclobutane-1-carboxylic acid

cis-(1S,2R)-1-amino-2-(hydroxymethyl)cyclobutane-1-carboxylic acid (PubChem CID 11804894) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is cis-(1S,2R)-1-amino-2-(hydroxymethyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-1-amino-2-(hydroxymethyl)cyclobutane-1-carboxylic acid
PubChem CID11804894
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namecis-(1S,2R)-1-amino-2-(hydroxymethyl)cyclobutane-1-carboxylic acid
SMILESN[C@@]1(C(=O)O)CC[C@H]1CO
InChIInChI=1S/C6H11NO3/c7-6(5(9)10)2-1-4(6)3-8/h4,8H,1-3,7H2,(H,9,10)/t4-,6-/m0/s1
InChIKeyCXBOBABAALGALT-NJGYIYPDSA-N
XLogP-0.83
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-amino-2-(hydroxymethyl)cyclobutane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-1-amino-2-(hydroxymethyl)cyclobutane-1-carboxylic acid (CID 11804894) is cis-(1S,2R)-1-amino-2-(hydroxymethyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-1-amino-2-(hydroxymethyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-1-amino-2-(hydroxymethyl)cyclobutane-1-carboxylic acid is N[C@@]1(C(=O)O)CC[C@H]1CO.
What is the InChIKey of cis-(1S,2R)-1-amino-2-(hydroxymethyl)cyclobutane-1-carboxylic acid?
The InChIKey is CXBOBABAALGALT-NJGYIYPDSA-N. The full InChI is InChI=1S/C6H11NO3/c7-6(5(9)10)2-1-4(6)3-8/h4,8H,1-3,7H2,(H,9,10)/t4-,6-/m0/s1.
What are the key properties of cis-(1S,2R)-1-amino-2-(hydroxymethyl)cyclobutane-1-carboxylic acid?
cis-(1S,2R)-1-amino-2-(hydroxymethyl)cyclobutane-1-carboxylic acid has a molecular weight of 145.16 g/mol, XLogP of -0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-amino-2-(hydroxymethyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 11804894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).