4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid

C18H26N4O3 — CID 143877681

IUPAC4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid
SMILESN#Cc1cccn1CCC(N)C(=O)N1CCC(CCCC(=O)O)CC1
InChIInChI=1S/C18H26N4O3/c19-13-15-4-2-9-21(15)12-8-16(20)18(25)22-10-6-14(7-11-22)3-1-5-17(23)24/h2,4,9,14,16H,1,3,5-8,10-12,20H2,(H,23,24)
InChIKeyRQDZVSTUQQTYCY-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.57
Rot. Bonds8

About 4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid

4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid (PubChem CID 143877681) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid
PubChem CID143877681
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid
SMILESN#Cc1cccn1CCC(N)C(=O)N1CCC(CCCC(=O)O)CC1
InChIInChI=1S/C18H26N4O3/c19-13-15-4-2-9-21(15)12-8-16(20)18(25)22-10-6-14(7-11-22)3-1-5-17(23)24/h2,4,9,14,16H,1,3,5-8,10-12,20H2,(H,23,24)
InChIKeyRQDZVSTUQQTYCY-UHFFFAOYSA-N
XLogP1.57
TPSA112.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid?
The IUPAC name of 4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid (CID 143877681) is 4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid.
What is the SMILES notation for 4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid?
The canonical SMILES for 4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid is N#Cc1cccn1CCC(N)C(=O)N1CCC(CCCC(=O)O)CC1.
What is the InChIKey of 4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid?
The InChIKey is RQDZVSTUQQTYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c19-13-15-4-2-9-21(15)12-8-16(20)18(25)22-10-6-14(7-11-22)3-1-5-17(23)24/h2,4,9,14,16H,1,3,5-8,10-12,20H2,(H,23,24).
What are the key properties of 4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid?
4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid has a molecular weight of 346.43 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid is sourced from PubChem (CID 143877681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).