2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid

C12H20N2O5 — CID 114120332

IUPAC2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid
SMILESCOC1CC(NC(=O)N2CCOCC2CC(=O)O)C1
InChIInChI=1S/C12H20N2O5/c1-18-10-4-8(5-10)13-12(17)14-2-3-19-7-9(14)6-11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyVASMSWVNHGAQJK-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.05
Rot. Bonds4

About 2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid

2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid (PubChem CID 114120332) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid
PubChem CID114120332
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid
SMILESCOC1CC(NC(=O)N2CCOCC2CC(=O)O)C1
InChIInChI=1S/C12H20N2O5/c1-18-10-4-8(5-10)13-12(17)14-2-3-19-7-9(14)6-11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyVASMSWVNHGAQJK-UHFFFAOYSA-N
XLogP0.05
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid
CID 114469359
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid
CID 113457970
2-[4-(4-methylpent-1-yn-3-ylcarbamoyl)morpholin-3-yl]acetic acid
CID 114202703
2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid
CID 106039296
2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid
CID 106004541
3-(acetamidomethyl)morpholine-4-carboxylic acid
CID 174875901
2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid
CID 129414261
2-[4-[(2-methylthiolan-2-yl)methylcarbamoyl]morpholin-3-yl]acetic acid
CID 80742933
1-[(3-methoxycyclobutyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 114120288
2-[4-(thiolan-3-ylmethylcarbamoyl)morpholin-3-yl]acetic acid
CID 107297364
2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid
CID 129469870
2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid
CID 81100894

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid (CID 114120332) is 2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid is COC1CC(NC(=O)N2CCOCC2CC(=O)O)C1.
What is the InChIKey of 2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid?
The InChIKey is VASMSWVNHGAQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-18-10-4-8(5-10)13-12(17)14-2-3-19-7-9(14)6-11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid?
2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 114120332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).