(2S)-4-[1-(2-methoxyethyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid

C14H23NO5 — CID 125149728

IUPAC(2S)-4-[1-(2-methoxyethyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
SMILESCOCCC1(C(=O)N2CCO[C@H](C(=O)O)C2)CCCC1
InChIInChI=1S/C14H23NO5/c1-19-8-6-14(4-2-3-5-14)13(18)15-7-9-20-11(10-15)12(16)17/h11H,2-10H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeySQTQDAWOYJXYAM-NSHDSACASA-N
MW285.34 g/mol
LogP0.90
Rot. Bonds5

About (2S)-4-[1-(2-methoxyethyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid

(2S)-4-[1-(2-methoxyethyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid (PubChem CID 125149728) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2S)-4-[1-(2-methoxyethyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[1-(2-methoxyethyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
PubChem CID125149728
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name(2S)-4-[1-(2-methoxyethyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
SMILESCOCCC1(C(=O)N2CCO[C@H](C(=O)O)C2)CCCC1
InChIInChI=1S/C14H23NO5/c1-19-8-6-14(4-2-3-5-14)13(18)15-7-9-20-11(10-15)12(16)17/h11H,2-10H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeySQTQDAWOYJXYAM-NSHDSACASA-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

1-[1-(2-methoxyethyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 102553827
(3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124685754
2-[4-[1-(2-methoxyethyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 120527770
(3R,4R)-4-cyclopropyl-1-[1-(2-methoxyethyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120978313
4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid
CID 71914349
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 119412473
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone
CID 119638958
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 97246480
[1-(2-methoxyethyl)cyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563582
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride
CID 119638368
[(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-[1-(2-methoxyethyl)cyclopentyl]methanone
CID 97226421
(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride
CID 119375948

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[1-(2-methoxyethyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[1-(2-methoxyethyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid (CID 125149728) is (2S)-4-[1-(2-methoxyethyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[1-(2-methoxyethyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[1-(2-methoxyethyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid is COCCC1(C(=O)N2CCO[C@H](C(=O)O)C2)CCCC1.
What is the InChIKey of (2S)-4-[1-(2-methoxyethyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid?
The InChIKey is SQTQDAWOYJXYAM-NSHDSACASA-N. The full InChI is InChI=1S/C14H23NO5/c1-19-8-6-14(4-2-3-5-14)13(18)15-7-9-20-11(10-15)12(16)17/h11H,2-10H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-4-[1-(2-methoxyethyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid?
(2S)-4-[1-(2-methoxyethyl)cyclopentanecarbonyl]morpholine-2-carboxylic 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 (2S)-4-[1-(2-methoxyethyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125149728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).