1-amino-3-(2-carboxyethyl)cyclobutane-1-carboxylic acid

C8H13NO4 — CID 14938874

IUPAC1-amino-3-(2-carboxyethyl)cyclobutane-1-carboxylic acid
SMILESNC1(C(=O)O)CC(CCC(=O)O)C1
InChIInChI=1S/C8H13NO4/c9-8(7(12)13)3-5(4-8)1-2-6(10)11/h5H,1-4,9H2,(H,10,11)(H,12,13)
InChIKeyMRIDWAJTWCTDEK-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.04
Rot. Bonds4

About 1-amino-3-(2-carboxyethyl)cyclobutane-1-carboxylic acid

1-amino-3-(2-carboxyethyl)cyclobutane-1-carboxylic acid (PubChem CID 14938874) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-amino-3-(2-carboxyethyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(2-carboxyethyl)cyclobutane-1-carboxylic acid
PubChem CID14938874
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-amino-3-(2-carboxyethyl)cyclobutane-1-carboxylic acid
SMILESNC1(C(=O)O)CC(CCC(=O)O)C1
InChIInChI=1S/C8H13NO4/c9-8(7(12)13)3-5(4-8)1-2-6(10)11/h5H,1-4,9H2,(H,10,11)(H,12,13)
InChIKeyMRIDWAJTWCTDEK-UHFFFAOYSA-N
XLogP0.04
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-carboxyethyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(2-carboxyethyl)cyclobutane-1-carboxylic acid (CID 14938874) is 1-amino-3-(2-carboxyethyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(2-carboxyethyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(2-carboxyethyl)cyclobutane-1-carboxylic acid is NC1(C(=O)O)CC(CCC(=O)O)C1.
What is the InChIKey of 1-amino-3-(2-carboxyethyl)cyclobutane-1-carboxylic acid?
The InChIKey is MRIDWAJTWCTDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c9-8(7(12)13)3-5(4-8)1-2-6(10)11/h5H,1-4,9H2,(H,10,11)(H,12,13).
What are the key properties of 1-amino-3-(2-carboxyethyl)cyclobutane-1-carboxylic acid?
1-amino-3-(2-carboxyethyl)cyclobutane-1-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-carboxyethyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 14938874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).