(3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid

C12H19NO5 — CID 124513489

IUPAC(3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)CC[C@H]1CCCO1
InChIInChI=1S/C12H19NO5/c14-11(4-3-9-2-1-6-18-9)13-5-7-17-8-10(13)12(15)16/h9-10H,1-8H2,(H,15,16)/t9-,10+/m1/s1
InChIKeyRFCPJUXNKNWYNJ-ZJUUUORDSA-N
MW257.29 g/mol
LogP0.26
Rot. Bonds4

About (3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid

(3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid (PubChem CID 124513489) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is (3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
PubChem CID124513489
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name(3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)CC[C@H]1CCCO1
InChIInChI=1S/C12H19NO5/c14-11(4-3-9-2-1-6-18-9)13-5-7-17-8-10(13)12(15)16/h9-10H,1-8H2,(H,15,16)/t9-,10+/m1/s1
InChIKeyRFCPJUXNKNWYNJ-ZJUUUORDSA-N
XLogP0.26
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholine-3-carboxylic acid
CID 124513583
(2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61136843
(3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid
CID 125152966
(3S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 125153948
(3S)-4-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 125153950
(3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid
CID 125150368
4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid
CID 104855782
(2S)-1-[3-[(3S)-oxan-3-yl]propanoyl]pyrrolidine-2-carboxylic acid
CID 124702759
4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid
CID 119216307
(3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid
CID 125151644
3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 62217111
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 65159910

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid (CID 124513489) is (3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid is O=C(O)[C@@H]1COCCN1C(=O)CC[C@H]1CCCO1.
What is the InChIKey of (3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid?
The InChIKey is RFCPJUXNKNWYNJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H19NO5/c14-11(4-3-9-2-1-6-18-9)13-5-7-17-8-10(13)12(15)16/h9-10H,1-8H2,(H,15,16)/t9-,10+/m1/s1.
What are the key properties of (3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid?
(3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 124513489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).