1-(1,3-diamino-3-oxopropyl)cyclobutane-1-carboxylic acid

C8H14N2O3 — CID 66978046

IUPAC1-(1,3-diamino-3-oxopropyl)cyclobutane-1-carboxylic acid
SMILESNC(=O)CC(N)C1(C(=O)O)CCC1
InChIInChI=1S/C8H14N2O3/c9-5(4-6(10)11)8(7(12)13)2-1-3-8/h5H,1-4,9H2,(H2,10,11)(H,12,13)
InChIKeyJYMVHCYXDZJJLC-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.56
Rot. Bonds4

About 1-(1,3-diamino-3-oxopropyl)cyclobutane-1-carboxylic acid

1-(1,3-diamino-3-oxopropyl)cyclobutane-1-carboxylic acid (PubChem CID 66978046) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(1,3-diamino-3-oxopropyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-diamino-3-oxopropyl)cyclobutane-1-carboxylic acid
PubChem CID66978046
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-(1,3-diamino-3-oxopropyl)cyclobutane-1-carboxylic acid
SMILESNC(=O)CC(N)C1(C(=O)O)CCC1
InChIInChI=1S/C8H14N2O3/c9-5(4-6(10)11)8(7(12)13)2-1-3-8/h5H,1-4,9H2,(H2,10,11)(H,12,13)
InChIKeyJYMVHCYXDZJJLC-UHFFFAOYSA-N
XLogP-0.56
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diamino-3-oxopropyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(1,3-diamino-3-oxopropyl)cyclobutane-1-carboxylic acid (CID 66978046) is 1-(1,3-diamino-3-oxopropyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(1,3-diamino-3-oxopropyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(1,3-diamino-3-oxopropyl)cyclobutane-1-carboxylic acid is NC(=O)CC(N)C1(C(=O)O)CCC1.
What is the InChIKey of 1-(1,3-diamino-3-oxopropyl)cyclobutane-1-carboxylic acid?
The InChIKey is JYMVHCYXDZJJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c9-5(4-6(10)11)8(7(12)13)2-1-3-8/h5H,1-4,9H2,(H2,10,11)(H,12,13).
What are the key properties of 1-(1,3-diamino-3-oxopropyl)cyclobutane-1-carboxylic acid?
1-(1,3-diamino-3-oxopropyl)cyclobutane-1-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diamino-3-oxopropyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 66978046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).