3-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanoic acid

C12H22N2O3 — CID 51619189

IUPAC3-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC[C@H]1CN1CCOCC1
InChIInChI=1S/C12H22N2O3/c15-12(16)3-5-14-4-1-2-11(14)10-13-6-8-17-9-7-13/h11H,1-10H2,(H,15,16)/t11-/m0/s1
InChIKeyKEHNBSJPVFZAEQ-NSHDSACASA-N
MW242.32 g/mol
LogP0.26
Rot. Bonds5

About 3-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanoic acid

3-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanoic acid (PubChem CID 51619189) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanoic acid
PubChem CID51619189
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC[C@H]1CN1CCOCC1
InChIInChI=1S/C12H22N2O3/c15-12(16)3-5-14-4-1-2-11(14)10-13-6-8-17-9-7-13/h11H,1-10H2,(H,15,16)/t11-/m0/s1
InChIKeyKEHNBSJPVFZAEQ-NSHDSACASA-N
XLogP0.26
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid
CID 119135261
5-[2-(morpholin-4-ylmethyl)piperidin-1-yl]pentan-1-ol
CID 111489845
3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propanoic acid
CID 94161350
3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 29295033
4-[[(2R)-1-(4,4-dimethylpentyl)piperidin-2-yl]methyl]morpholine
CID 100637336
[(2R)-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-yl]methanol
CID 111487572
4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 126446645
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 111103101
1-[1-(2-morpholin-4-ylethyl)piperidin-2-yl]propan-2-one
CID 79539535
2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
CID 91568400
2-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 62386446
1-[1-(2-morpholin-4-ylethyl)azepan-2-yl]propan-2-one
CID 79560854

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanoic acid?
The IUPAC name of 3-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanoic acid (CID 51619189) is 3-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 3-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanoic acid is O=C(O)CCN1CCC[C@H]1CN1CCOCC1.
What is the InChIKey of 3-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanoic acid?
The InChIKey is KEHNBSJPVFZAEQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2O3/c15-12(16)3-5-14-4-1-2-11(14)10-13-6-8-17-9-7-13/h11H,1-10H2,(H,15,16)/t11-/m0/s1.
What are the key properties of 3-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanoic acid?
3-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 51619189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).