(3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid

C12H19NO6 — CID 125152966

IUPAC(3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)COC[C@@H]1CCCO1
InChIInChI=1S/C12H19NO6/c14-11(8-18-6-9-2-1-4-19-9)13-3-5-17-7-10(13)12(15)16/h9-10H,1-8H2,(H,15,16)/t9-,10-/m0/s1
InChIKeyRLMPMRQXMOROMN-UWVGGRQHSA-N
MW273.28 g/mol
LogP-0.51
Rot. Bonds5

About (3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid

(3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid (PubChem CID 125152966) has the molecular formula C12H19NO6 and a molecular weight of 273.28 g/mol. Its IUPAC name is (3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid
PubChem CID125152966
Molecular FormulaC12H19NO6
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name(3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)COC[C@@H]1CCCO1
InChIInChI=1S/C12H19NO6/c14-11(8-18-6-9-2-1-4-19-9)13-3-5-17-7-10(13)12(15)16/h9-10H,1-8H2,(H,15,16)/t9-,10-/m0/s1
InChIKeyRLMPMRQXMOROMN-UWVGGRQHSA-N
XLogP-0.51
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholine-3-carboxylic acid
CID 124513583
(3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 124513489
(3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid
CID 125151644
(3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid
CID 125150368
(2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid
CID 129467409
(2S)-1-[3-[[(2S)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid
CID 129467574
4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid
CID 119216307
1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 99615375
4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid
CID 112555118
4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid
CID 104855782
1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 98323854
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid (CID 125152966) is (3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid is O=C(O)[C@@H]1COCCN1C(=O)COC[C@@H]1CCCO1.
What is the InChIKey of (3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid?
The InChIKey is RLMPMRQXMOROMN-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H19NO6/c14-11(8-18-6-9-2-1-4-19-9)13-3-5-17-7-10(13)12(15)16/h9-10H,1-8H2,(H,15,16)/t9-,10-/m0/s1.
What are the key properties of (3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid?
(3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid has a molecular weight of 273.28 g/mol, XLogP of -0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125152966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).