ethyl 2-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)butanoyl]amino]acetate

C19H27N3O3 — CID 70246074

IUPACethyl 2-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)butanoyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)CCCc1ccnc2c1CCCN2)C1CC1
InChIInChI=1S/C19H27N3O3/c1-2-25-18(24)13-22(15-8-9-15)17(23)7-3-5-14-10-12-21-19-16(14)6-4-11-20-19/h10,12,15H,2-9,11,13H2,1H3,(H,20,21)
InChIKeySWYGOOJWPKBRTO-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.32
Rot. Bonds8

About ethyl 2-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)butanoyl]amino]acetate

ethyl 2-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)butanoyl]amino]acetate (PubChem CID 70246074) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)butanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)butanoyl]amino]acetate
PubChem CID70246074
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nameethyl 2-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)butanoyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)CCCc1ccnc2c1CCCN2)C1CC1
InChIInChI=1S/C19H27N3O3/c1-2-25-18(24)13-22(15-8-9-15)17(23)7-3-5-14-10-12-21-19-16(14)6-4-11-20-19/h10,12,15H,2-9,11,13H2,1H3,(H,20,21)
InChIKeySWYGOOJWPKBRTO-UHFFFAOYSA-N
XLogP2.32
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)butanoyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)butanoyl]amino]acetate (CID 70246074) is ethyl 2-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)butanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)butanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)butanoyl]amino]acetate is CCOC(=O)CN(C(=O)CCCc1ccnc2c1CCCN2)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)butanoyl]amino]acetate?
The InChIKey is SWYGOOJWPKBRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-25-18(24)13-22(15-8-9-15)17(23)7-3-5-14-10-12-21-19-16(14)6-4-11-20-19/h10,12,15H,2-9,11,13H2,1H3,(H,20,21).
What are the key properties of ethyl 2-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)butanoyl]amino]acetate?
ethyl 2-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)butanoyl]amino]acetate has a molecular weight of 345.44 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)butanoyl]amino]acetate is sourced from PubChem (CID 70246074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).