2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid

C15H22N4O3 — CID 95726395

IUPAC2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1Cc1cnc(N2CCCC2)nc1
InChIInChI=1S/C15H22N4O3/c20-14(21)7-13-11-22-6-5-19(13)10-12-8-16-15(17-9-12)18-3-1-2-4-18/h8-9,13H,1-7,10-11H2,(H,20,21)/t13-/m1/s1
InChIKeyQQERTBSYZDUDSM-CYBMUJFWSA-N
MW306.37 g/mol
LogP0.75
Rot. Bonds5

About 2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid

2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid (PubChem CID 95726395) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid
PubChem CID95726395
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1Cc1cnc(N2CCCC2)nc1
InChIInChI=1S/C15H22N4O3/c20-14(21)7-13-11-22-6-5-19(13)10-12-8-16-15(17-9-12)18-3-1-2-4-18/h8-9,13H,1-7,10-11H2,(H,20,21)/t13-/m1/s1
InChIKeyQQERTBSYZDUDSM-CYBMUJFWSA-N
XLogP0.75
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 95718552
2-[4-(9H-fluoren-2-ylmethyl)morpholin-3-yl]acetic acid
CID 56913375
2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 61372299
2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 95729743
2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 56917100
2-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]morpholin-3-yl]acetic acid
CID 83084462
2-[4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid
CID 74243764
2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-3-yl]acetic acid
CID 56904309
N-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide
CID 70744666
(3R)-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 99930615
[(3aS,7aR)-2-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154811465
2-[4-[(4-bromo-2-chlorophenyl)methyl]morpholin-3-yl]acetic acid
CID 113471103

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid (CID 95726395) is 2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid is O=C(O)C[C@@H]1COCCN1Cc1cnc(N2CCCC2)nc1.
What is the InChIKey of 2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid?
The InChIKey is QQERTBSYZDUDSM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-14(21)7-13-11-22-6-5-19(13)10-12-8-16-15(17-9-12)18-3-1-2-4-18/h8-9,13H,1-7,10-11H2,(H,20,21)/t13-/m1/s1.
What are the key properties of 2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid?
2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid has a molecular weight of 306.37 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 95726395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).