2-[(2R)-4-[2-(1-methoxycyclobutyl)acetyl]morpholin-2-yl]acetic acid

C13H21NO5 — CID 129414298

IUPAC2-[(2R)-4-[2-(1-methoxycyclobutyl)acetyl]morpholin-2-yl]acetic acid
SMILESCOC1(CC(=O)N2CCO[C@H](CC(=O)O)C2)CCC1
InChIInChI=1S/C13H21NO5/c1-18-13(3-2-4-13)8-11(15)14-5-6-19-10(9-14)7-12(16)17/h10H,2-9H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyXQQIZDKXLCPHKF-SNVBAGLBSA-N
MW271.31 g/mol
LogP0.65
Rot. Bonds5

About 2-[(2R)-4-[2-(1-methoxycyclobutyl)acetyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[2-(1-methoxycyclobutyl)acetyl]morpholin-2-yl]acetic acid (PubChem CID 129414298) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[(2R)-4-[2-(1-methoxycyclobutyl)acetyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[2-(1-methoxycyclobutyl)acetyl]morpholin-2-yl]acetic acid
PubChem CID129414298
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-[(2R)-4-[2-(1-methoxycyclobutyl)acetyl]morpholin-2-yl]acetic acid
SMILESCOC1(CC(=O)N2CCO[C@H](CC(=O)O)C2)CCC1
InChIInChI=1S/C13H21NO5/c1-18-13(3-2-4-13)8-11(15)14-5-6-19-10(9-14)7-12(16)17/h10H,2-9H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyXQQIZDKXLCPHKF-SNVBAGLBSA-N
XLogP0.65
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid
CID 103555656
2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid
CID 119248213
2-[4-[1-(2-methoxyethyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 120527770
2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 103536464
2-(1-methoxycyclobutyl)-1-(4-propan-2-yl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl)ethanone
CID 131689011
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103520062
2-[4-[2-(thian-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 83144878
2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515387
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103557199
1-[(4aR,7aS)-4-methylsulfonyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-(1-methoxycyclobutyl)ethanone
CID 131686854
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[2-(1-methoxycyclobutyl)acetyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[2-(1-methoxycyclobutyl)acetyl]morpholin-2-yl]acetic acid (CID 129414298) is 2-[(2R)-4-[2-(1-methoxycyclobutyl)acetyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[2-(1-methoxycyclobutyl)acetyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[2-(1-methoxycyclobutyl)acetyl]morpholin-2-yl]acetic acid is COC1(CC(=O)N2CCO[C@H](CC(=O)O)C2)CCC1.
What is the InChIKey of 2-[(2R)-4-[2-(1-methoxycyclobutyl)acetyl]morpholin-2-yl]acetic acid?
The InChIKey is XQQIZDKXLCPHKF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21NO5/c1-18-13(3-2-4-13)8-11(15)14-5-6-19-10(9-14)7-12(16)17/h10H,2-9H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of 2-[(2R)-4-[2-(1-methoxycyclobutyl)acetyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[2-(1-methoxycyclobutyl)acetyl]morpholin-2-yl]acetic acid has a molecular weight of 271.31 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[2-(1-methoxycyclobutyl)acetyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 129414298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).