2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid

C14H23NO5 — CID 129470037

IUPAC2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1COCCN1C(=O)CCC1CCOCC1
InChIInChI=1S/C14H23NO5/c16-13(2-1-11-3-6-19-7-4-11)15-5-8-20-10-12(15)9-14(17)18/h11-12H,1-10H2,(H,17,18)/t12-/m0/s1
InChIKeyYIFQRGVPCQQKBA-LBPRGKRZSA-N
MW285.34 g/mol
LogP0.90
Rot. Bonds5

About 2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid

2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid (PubChem CID 129470037) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid
PubChem CID129470037
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1COCCN1C(=O)CCC1CCOCC1
InChIInChI=1S/C14H23NO5/c16-13(2-1-11-3-6-19-7-4-11)15-5-8-20-10-12(15)9-14(17)18/h11-12H,1-10H2,(H,17,18)/t12-/m0/s1
InChIKeyYIFQRGVPCQQKBA-LBPRGKRZSA-N
XLogP0.90
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(oxazinan-2-yl)propanoyl]morpholin-3-yl]acetic acid
CID 46993756
(2R)-1-[3-(oxan-4-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119370991
2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid
CID 99625562
2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetic acid
CID 95721739
2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid
CID 124751060
2-[4-[(2R)-oxolane-2-carbonyl]morpholin-3-yl]acetic acid
CID 104855859
2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743
5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid
CID 43611838
2-[4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-yl]acetic acid
CID 106588033
2-[(3R)-4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]morpholin-3-yl]acetic acid
CID 129381156
2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid
CID 95714732
2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid
CID 129414261

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid (CID 129470037) is 2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid is O=C(O)C[C@H]1COCCN1C(=O)CCC1CCOCC1.
What is the InChIKey of 2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid?
The InChIKey is YIFQRGVPCQQKBA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23NO5/c16-13(2-1-11-3-6-19-7-4-11)15-5-8-20-10-12(15)9-14(17)18/h11-12H,1-10H2,(H,17,18)/t12-/m0/s1.
What are the key properties of 2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid?
2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 129470037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).