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

C17H20FN3O5 — CID 68689471

IUPAC(1R,3S,4S)-1-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide
SMILESNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCOCC3=O)c(F)c2)C[C@@H]1O
InChIInChI=1S/C17H20FN3O5/c18-12-7-10(1-2-13(12)21-3-4-26-8-15(21)23)20-17(25)9-5-11(16(19)24)14(22)6-9/h1-2,7,9,11,14,22H,3-6,8H2,(H2,19,24)(H,20,25)/t9-,11+,14+/m1/s1
InChIKeyKBAFVNHUCVFGPC-PUYPPJJSSA-N
MW365.36 g/mol
LogP-0.00
Rot. Bonds4

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

(1R,3S,4S)-1-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide (PubChem CID 68689471) has the molecular formula C17H20FN3O5 and a molecular weight of 365.36 g/mol. Its IUPAC name is (1R,3S,4S)-1-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide.

Molecular Properties

Compound Name(1R,3S,4S)-1-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide
PubChem CID68689471
Molecular FormulaC17H20FN3O5
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name(1R,3S,4S)-1-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide
SMILESNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCOCC3=O)c(F)c2)C[C@@H]1O
InChIInChI=1S/C17H20FN3O5/c18-12-7-10(1-2-13(12)21-3-4-26-8-15(21)23)20-17(25)9-5-11(16(19)24)14(22)6-9/h1-2,7,9,11,14,22H,3-6,8H2,(H2,19,24)(H,20,25)/t9-,11+,14+/m1/s1
InChIKeyKBAFVNHUCVFGPC-PUYPPJJSSA-N
XLogP-0.00
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

(1R,3S,4S)-1-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide
CID 68689609
(2S)-2-[bis(2,2,2-trifluoroethyl)amino]-N'-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]propanediamide
CID 87868468
(2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]propanediamide
CID 87869026
(2R)-3-amino-2-[cyclopropylmethyl(2,2-difluoroethyl)amino]-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 87868332
(2S)-2-[cyclobutylmethyl(2,2-difluoroethyl)amino]-N'-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]propanediamide
CID 87869136
(2R)-3-amino-2-[2,2-difluoroethyl(2-methylpropyl)amino]-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 87868494
4-(2-fluoro-4-methylphenyl)morpholin-3-one
CID 58845389
3-hydroxy-N-[4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide
CID 78036523
(2S)-2-[2,2-difluoroethyl(2,2-dimethylpropyl)amino]-N'-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]propanediamide
CID 87869030
5-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pentanamide
CID 67117853
(2S)-3-amino-2-(2,2-difluoroethylcarbamoylamino)-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 87868308
5-chloro-N-[(2S)-2-(cyclopropanecarbonylamino)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 90765807

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4S)-1-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide?
The IUPAC name of (1R,3S,4S)-1-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide (CID 68689471) is (1R,3S,4S)-1-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide.
What is the SMILES notation for (1R,3S,4S)-1-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide?
The canonical SMILES for (1R,3S,4S)-1-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide is NC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCOCC3=O)c(F)c2)C[C@@H]1O.
What is the InChIKey of (1R,3S,4S)-1-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide?
The InChIKey is KBAFVNHUCVFGPC-PUYPPJJSSA-N. The full InChI is InChI=1S/C17H20FN3O5/c18-12-7-10(1-2-13(12)21-3-4-26-8-15(21)23)20-17(25)9-5-11(16(19)24)14(22)6-9/h1-2,7,9,11,14,22H,3-6,8H2,(H2,19,24)(H,20,25)/t9-,11+,14+/m1/s1.
What are the key properties of (1R,3S,4S)-1-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide?
(1R,3S,4S)-1-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide has a molecular weight of 365.36 g/mol, XLogP of -0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S)-1-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide is sourced from PubChem (CID 68689471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).