3-[3-[4-(4,6-diazaspiro[2.5]oct-5-en-5-ylamino)-4-oxobutyl]-2-oxoimidazolidin-1-yl]propanoic acid

C16H25N5O4 — CID 142076892

IUPAC3-[3-[4-(4,6-diazaspiro[2.5]oct-5-en-5-ylamino)-4-oxobutyl]-2-oxoimidazolidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(CCCC(=O)NC2=NCCC3(CC3)N2)C1=O
InChIInChI=1S/C16H25N5O4/c22-12(18-14-17-7-6-16(19-14)4-5-16)2-1-8-20-10-11-21(15(20)25)9-3-13(23)24/h1-11H2,(H,23,24)(H2,17,18,19,22)
InChIKeyUOOBCXXHJQEPPN-UHFFFAOYSA-N
MW351.41 g/mol
LogP-0.02
Rot. Bonds7

About 3-[3-[4-(4,6-diazaspiro[2.5]oct-5-en-5-ylamino)-4-oxobutyl]-2-oxoimidazolidin-1-yl]propanoic acid

3-[3-[4-(4,6-diazaspiro[2.5]oct-5-en-5-ylamino)-4-oxobutyl]-2-oxoimidazolidin-1-yl]propanoic acid (PubChem CID 142076892) has the molecular formula C16H25N5O4 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[3-[4-(4,6-diazaspiro[2.5]oct-5-en-5-ylamino)-4-oxobutyl]-2-oxoimidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[4-(4,6-diazaspiro[2.5]oct-5-en-5-ylamino)-4-oxobutyl]-2-oxoimidazolidin-1-yl]propanoic acid
PubChem CID142076892
Molecular FormulaC16H25N5O4
Molecular Weight351.41 g/mol
Exact Mass351.19
IUPAC Name3-[3-[4-(4,6-diazaspiro[2.5]oct-5-en-5-ylamino)-4-oxobutyl]-2-oxoimidazolidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(CCCC(=O)NC2=NCCC3(CC3)N2)C1=O
InChIInChI=1S/C16H25N5O4/c22-12(18-14-17-7-6-16(19-14)4-5-16)2-1-8-20-10-11-21(15(20)25)9-3-13(23)24/h1-11H2,(H,23,24)(H2,17,18,19,22)
InChIKeyUOOBCXXHJQEPPN-UHFFFAOYSA-N
XLogP-0.02
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4,6-diazaspiro[2.5]oct-5-en-5-ylamino)-4-oxobutyl]-2-oxoimidazolidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-[4-(4,6-diazaspiro[2.5]oct-5-en-5-ylamino)-4-oxobutyl]-2-oxoimidazolidin-1-yl]propanoic acid (CID 142076892) is 3-[3-[4-(4,6-diazaspiro[2.5]oct-5-en-5-ylamino)-4-oxobutyl]-2-oxoimidazolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-[4-(4,6-diazaspiro[2.5]oct-5-en-5-ylamino)-4-oxobutyl]-2-oxoimidazolidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-[4-(4,6-diazaspiro[2.5]oct-5-en-5-ylamino)-4-oxobutyl]-2-oxoimidazolidin-1-yl]propanoic acid is O=C(O)CCN1CCN(CCCC(=O)NC2=NCCC3(CC3)N2)C1=O.
What is the InChIKey of 3-[3-[4-(4,6-diazaspiro[2.5]oct-5-en-5-ylamino)-4-oxobutyl]-2-oxoimidazolidin-1-yl]propanoic acid?
The InChIKey is UOOBCXXHJQEPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4/c22-12(18-14-17-7-6-16(19-14)4-5-16)2-1-8-20-10-11-21(15(20)25)9-3-13(23)24/h1-11H2,(H,23,24)(H2,17,18,19,22).
What are the key properties of 3-[3-[4-(4,6-diazaspiro[2.5]oct-5-en-5-ylamino)-4-oxobutyl]-2-oxoimidazolidin-1-yl]propanoic acid?
3-[3-[4-(4,6-diazaspiro[2.5]oct-5-en-5-ylamino)-4-oxobutyl]-2-oxoimidazolidin-1-yl]propanoic acid has a molecular weight of 351.41 g/mol, XLogP of -0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4,6-diazaspiro[2.5]oct-5-en-5-ylamino)-4-oxobutyl]-2-oxoimidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 142076892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).