2-[1-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

C19H27N3O5 — CID 2826404

IUPAC2-[1-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCOc1ccc(NC(=O)CC2(CC(=O)O)CCCC2)c(N2CCOCC2)n1
InChIInChI=1S/C19H27N3O5/c1-26-16-5-4-14(18(21-16)22-8-10-27-11-9-22)20-15(23)12-19(13-17(24)25)6-2-3-7-19/h4-5H,2-3,6-13H2,1H3,(H,20,23)(H,24,25)
InChIKeyOLSBNGAOAJMTLV-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.29
Rot. Bonds7

About 2-[1-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 2826404) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[1-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID2826404
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name2-[1-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCOc1ccc(NC(=O)CC2(CC(=O)O)CCCC2)c(N2CCOCC2)n1
InChIInChI=1S/C19H27N3O5/c1-26-16-5-4-14(18(21-16)22-8-10-27-11-9-22)20-15(23)12-19(13-17(24)25)6-2-3-7-19/h4-5H,2-3,6-13H2,1H3,(H,20,23)(H,24,25)
InChIKeyOLSBNGAOAJMTLV-UHFFFAOYSA-N
XLogP2.29
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 2826404) is 2-[1-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is COc1ccc(NC(=O)CC2(CC(=O)O)CCCC2)c(N2CCOCC2)n1.
What is the InChIKey of 2-[1-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is OLSBNGAOAJMTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-26-16-5-4-14(18(21-16)22-8-10-27-11-9-22)20-15(23)12-19(13-17(24)25)6-2-3-7-19/h4-5H,2-3,6-13H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 2-[1-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 377.44 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 2826404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).