3-[2-[3-[methyl-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid

C20H26N4O4 — CID 91777542

IUPAC3-[2-[3-[methyl-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
SMILESCc1nc2ccccn2c1CN(C)C(=O)CCC1(CCC(=O)O)CCC(=O)N1
InChIInChI=1S/C20H26N4O4/c1-14-15(24-12-4-3-5-16(24)21-14)13-23(2)18(26)7-10-20(11-8-19(27)28)9-6-17(25)22-20/h3-5,12H,6-11,13H2,1-2H3,(H,22,25)(H,27,28)
InChIKeyMPQSMYVLPQQATC-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.89
Rot. Bonds8

About 3-[2-[3-[methyl-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid

3-[2-[3-[methyl-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid (PubChem CID 91777542) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-[2-[3-[methyl-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[3-[methyl-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
PubChem CID91777542
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name3-[2-[3-[methyl-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
SMILESCc1nc2ccccn2c1CN(C)C(=O)CCC1(CCC(=O)O)CCC(=O)N1
InChIInChI=1S/C20H26N4O4/c1-14-15(24-12-4-3-5-16(24)21-14)13-23(2)18(26)7-10-20(11-8-19(27)28)9-6-17(25)22-20/h3-5,12H,6-11,13H2,1-2H3,(H,22,25)(H,27,28)
InChIKeyMPQSMYVLPQQATC-UHFFFAOYSA-N
XLogP1.89
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[methyl-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid?
The IUPAC name of 3-[2-[3-[methyl-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid (CID 91777542) is 3-[2-[3-[methyl-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[2-[3-[methyl-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid?
The canonical SMILES for 3-[2-[3-[methyl-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid is Cc1nc2ccccn2c1CN(C)C(=O)CCC1(CCC(=O)O)CCC(=O)N1.
What is the InChIKey of 3-[2-[3-[methyl-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid?
The InChIKey is MPQSMYVLPQQATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-14-15(24-12-4-3-5-16(24)21-14)13-23(2)18(26)7-10-20(11-8-19(27)28)9-6-17(25)22-20/h3-5,12H,6-11,13H2,1-2H3,(H,22,25)(H,27,28).
What are the key properties of 3-[2-[3-[methyl-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid?
3-[2-[3-[methyl-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid has a molecular weight of 386.45 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[methyl-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid is sourced from PubChem (CID 91777542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).