3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid

C19H30N4O3 — CID 72909440

IUPAC3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid
SMILESCCc1ncc(CN2CC[C@H](N3CCOCC3)[C@H](CCC(=O)O)C2)cn1
InChIInChI=1S/C19H30N4O3/c1-2-18-20-11-15(12-21-18)13-22-6-5-17(23-7-9-26-10-8-23)16(14-22)3-4-19(24)25/h11-12,16-17H,2-10,13-14H2,1H3,(H,24,25)/t16-,17+/m1/s1
InChIKeyOGCYKOPMZOPOIX-SJORKVTESA-N
MW362.47 g/mol
LogP1.43
Rot. Bonds7

About 3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid

3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid (PubChem CID 72909440) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid
PubChem CID72909440
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid
SMILESCCc1ncc(CN2CC[C@H](N3CCOCC3)[C@H](CCC(=O)O)C2)cn1
InChIInChI=1S/C19H30N4O3/c1-2-18-20-11-15(12-21-18)13-22-6-5-17(23-7-9-26-10-8-23)16(14-22)3-4-19(24)25/h11-12,16-17H,2-10,13-14H2,1H3,(H,24,25)/t16-,17+/m1/s1
InChIKeyOGCYKOPMZOPOIX-SJORKVTESA-N
XLogP1.43
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid with MolForge

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Related Compounds

3-[(3R,4S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid
CID 72853049
3-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-morpholin-4-ylpiperidin-3-yl]propanoic acid
CID 72896915
3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid
CID 118759116
3-[(3R,4S)-1-[(1-methylindol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid
CID 72913178
methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate
CID 133122136
3-[(3R,4S)-1-(furan-3-ylmethyl)-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propanoic acid
CID 72868842
3-[(3S,4R)-4-(4-methylpiperazin-1-yl)-1-(pyridin-3-ylmethyl)piperidin-3-yl]propanoic acid
CID 118759209
N-butyl-N-methyl-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide
CID 126462480
methyl 3-[(3R,4S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate
CID 133118133
3-[(3R,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid
CID 72895631
3-[(3S,4R)-1-benzyl-4-morpholin-4-ylpiperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 28739752
3-[(3S,4R)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propanoic acid
CID 133111351

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid (CID 72909440) is 3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid is CCc1ncc(CN2CC[C@H](N3CCOCC3)[C@H](CCC(=O)O)C2)cn1.
What is the InChIKey of 3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid?
The InChIKey is OGCYKOPMZOPOIX-SJORKVTESA-N. The full InChI is InChI=1S/C19H30N4O3/c1-2-18-20-11-15(12-21-18)13-22-6-5-17(23-7-9-26-10-8-23)16(14-22)3-4-19(24)25/h11-12,16-17H,2-10,13-14H2,1H3,(H,24,25)/t16-,17+/m1/s1.
What are the key properties of 3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid?
3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid has a molecular weight of 362.47 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid is sourced from PubChem (CID 72909440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).