(2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid

C10H13NO4 — CID 51441031

IUPAC(2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2ccco2)CCO1
InChIInChI=1S/C10H13NO4/c12-10(13)9-7-11(3-5-15-9)6-8-2-1-4-14-8/h1-2,4,9H,3,5-7H2,(H,12,13)/t9-/m0/s1
InChIKeyFSMXAQCRSJBDED-VIFPVBQESA-N
MW211.22 g/mol
LogP0.56
Rot. Bonds3

About (2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid

(2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid (PubChem CID 51441031) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is (2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid
PubChem CID51441031
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name(2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2ccco2)CCO1
InChIInChI=1S/C10H13NO4/c12-10(13)9-7-11(3-5-15-9)6-8-2-1-4-14-8/h1-2,4,9H,3,5-7H2,(H,12,13)/t9-/m0/s1
InChIKeyFSMXAQCRSJBDED-VIFPVBQESA-N
XLogP0.56
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568220
4-benzyl-N-[1-(furan-2-yl)propan-2-yl]morpholine-2-carboxamide
CID 75373190
4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid
CID 62699016
3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009587
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015
(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420188
1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 106671878
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]morpholine-2-carboxylic acid
CID 65067171
2-[1-(furan-2-ylmethyl)azetidin-3-yl]propanoic acid
CID 116683796
4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 65067016
4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid
CID 63985912

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid (CID 51441031) is (2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(Cc2ccco2)CCO1.
What is the InChIKey of (2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid?
The InChIKey is FSMXAQCRSJBDED-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO4/c12-10(13)9-7-11(3-5-15-9)6-8-2-1-4-14-8/h1-2,4,9H,3,5-7H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid?
(2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 51441031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).