(1R,3S,4S)-1-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide

C18H20N4O5 — CID 68689609

IUPAC(1R,3S,4S)-1-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide
SMILESN#Cc1cc(N2CCOCC2=O)ccc1NC(=O)[C@@H]1C[C@H](C(N)=O)[C@@H](O)C1
InChIInChI=1S/C18H20N4O5/c19-8-11-5-12(22-3-4-27-9-16(22)24)1-2-14(11)21-18(26)10-6-13(17(20)25)15(23)7-10/h1-2,5,10,13,15,23H,3-4,6-7,9H2,(H2,20,25)(H,21,26)/t10-,13+,15+/m1/s1
InChIKeyAVRPGUCLQNCEBB-DGFSRKRXSA-N
MW372.38 g/mol
LogP-0.27
Rot. Bonds4

About (1R,3S,4S)-1-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide

(1R,3S,4S)-1-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide (PubChem CID 68689609) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is (1R,3S,4S)-1-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide.

Molecular Properties

Compound Name(1R,3S,4S)-1-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide
PubChem CID68689609
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name(1R,3S,4S)-1-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide
SMILESN#Cc1cc(N2CCOCC2=O)ccc1NC(=O)[C@@H]1C[C@H](C(N)=O)[C@@H](O)C1
InChIInChI=1S/C18H20N4O5/c19-8-11-5-12(22-3-4-27-9-16(22)24)1-2-14(11)21-18(26)10-6-13(17(20)25)15(23)7-10/h1-2,5,10,13,15,23H,3-4,6-7,9H2,(H2,20,25)(H,21,26)/t10-,13+,15+/m1/s1
InChIKeyAVRPGUCLQNCEBB-DGFSRKRXSA-N
XLogP-0.27
TPSA145.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1R,3S,4S)-1-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide with MolForge

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Related Compounds

(1R,3S,4S)-1-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide
CID 68689471
(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 69064791
4-(4-amino-3-ethynylphenyl)morpholin-3-one
CID 53417795
[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]carbamic acid
CID 91539862
2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carbonitrile
CID 91756494
1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 66881556
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282
3-hydroxy-N-[4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide
CID 78036523
1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide
CID 68685877
5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide
CID 165482135
N-(4-amino-2-cyanophenyl)cyclohexanecarboxamide
CID 43548995
4-(3-acetyl-4-aminophenyl)morpholin-3-one
CID 53417687

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4S)-1-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide?
The IUPAC name of (1R,3S,4S)-1-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide (CID 68689609) is (1R,3S,4S)-1-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide.
What is the SMILES notation for (1R,3S,4S)-1-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide?
The canonical SMILES for (1R,3S,4S)-1-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide is N#Cc1cc(N2CCOCC2=O)ccc1NC(=O)[C@@H]1C[C@H](C(N)=O)[C@@H](O)C1.
What is the InChIKey of (1R,3S,4S)-1-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide?
The InChIKey is AVRPGUCLQNCEBB-DGFSRKRXSA-N. The full InChI is InChI=1S/C18H20N4O5/c19-8-11-5-12(22-3-4-27-9-16(22)24)1-2-14(11)21-18(26)10-6-13(17(20)25)15(23)7-10/h1-2,5,10,13,15,23H,3-4,6-7,9H2,(H2,20,25)(H,21,26)/t10-,13+,15+/m1/s1.
What are the key properties of (1R,3S,4S)-1-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide?
(1R,3S,4S)-1-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide has a molecular weight of 372.38 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S)-1-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide is sourced from PubChem (CID 68689609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).