1-aminocyclobutane-1,3-dicarboxylic acid

C6H9NO4 — CID 1214

IUPAC1-aminocyclobutane-1,3-dicarboxylic acid
SMILESN[C@]1(C(=O)O)C[C@@H](C(=O)O)C1
InChIInChI=1S/C6H9NO4/c7-6(5(10)11)1-3(2-6)4(8)9/h3H,1-2,7H2,(H,8,9)(H,10,11)/t3-,6-
InChIKeyGGMYWPBNZXRMME-HSRNZHMGSA-N
MW159.14 g/mol
LogP-0.74
Rot. Bonds2

About 1-aminocyclobutane-1,3-dicarboxylic acid

1-aminocyclobutane-1,3-dicarboxylic acid (PubChem CID 1214) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 1-aminocyclobutane-1,3-dicarboxylic acid.

Molecular Properties

Compound Name1-aminocyclobutane-1,3-dicarboxylic acid
PubChem CID1214
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name1-aminocyclobutane-1,3-dicarboxylic acid
SMILESN[C@]1(C(=O)O)C[C@@H](C(=O)O)C1
InChIInChI=1S/C6H9NO4/c7-6(5(10)11)1-3(2-6)4(8)9/h3H,1-2,7H2,(H,8,9)(H,10,11)/t3-,6-
InChIKeyGGMYWPBNZXRMME-HSRNZHMGSA-N
XLogP-0.74
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-aminocyclobutane-1,3-dicarboxylic acid?
The IUPAC name of 1-aminocyclobutane-1,3-dicarboxylic acid (CID 1214) is 1-aminocyclobutane-1,3-dicarboxylic acid.
What is the SMILES notation for 1-aminocyclobutane-1,3-dicarboxylic acid?
The canonical SMILES for 1-aminocyclobutane-1,3-dicarboxylic acid is N[C@]1(C(=O)O)C[C@@H](C(=O)O)C1.
What is the InChIKey of 1-aminocyclobutane-1,3-dicarboxylic acid?
The InChIKey is GGMYWPBNZXRMME-HSRNZHMGSA-N. The full InChI is InChI=1S/C6H9NO4/c7-6(5(10)11)1-3(2-6)4(8)9/h3H,1-2,7H2,(H,8,9)(H,10,11)/t3-,6-.
What are the key properties of 1-aminocyclobutane-1,3-dicarboxylic acid?
1-aminocyclobutane-1,3-dicarboxylic acid has a molecular weight of 159.14 g/mol, XLogP of -0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocyclobutane-1,3-dicarboxylic acid is sourced from PubChem (CID 1214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).