2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid

C14H22N2O4 — CID 119194934

IUPAC2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CN1CCCCCCC1=O)C1CC1
InChIInChI=1S/C14H22N2O4/c17-12-5-3-1-2-4-8-15(12)9-13(18)16(10-14(19)20)11-6-7-11/h11H,1-10H2,(H,19,20)
InChIKeyWZUVNICSVBEQDM-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.85
Rot. Bonds5

About 2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid

2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid (PubChem CID 119194934) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
PubChem CID119194934
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CN1CCCCCCC1=O)C1CC1
InChIInChI=1S/C14H22N2O4/c17-12-5-3-1-2-4-8-15(12)9-13(18)16(10-14(19)20)11-6-7-11/h11H,1-10H2,(H,19,20)
InChIKeyWZUVNICSVBEQDM-UHFFFAOYSA-N
XLogP0.85
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid (CID 119194934) is 2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid is O=C(O)CN(C(=O)CN1CCCCCCC1=O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid?
The InChIKey is WZUVNICSVBEQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-12-5-3-1-2-4-8-15(12)9-13(18)16(10-14(19)20)11-6-7-11/h11H,1-10H2,(H,19,20).
What are the key properties of 2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 119194934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).