2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid

C12H20N2O4 — CID 113311756

IUPAC2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid
SMILESNCC1(C(=O)N2CCOCC2CC(=O)O)CCC1
InChIInChI=1S/C12H20N2O4/c13-8-12(2-1-3-12)11(17)14-4-5-18-7-9(14)6-10(15)16/h9H,1-8,13H2,(H,15,16)
InChIKeyDDXCKNCVSKPKSC-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.18
Rot. Bonds4

About 2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid

2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid (PubChem CID 113311756) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid
PubChem CID113311756
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid
SMILESNCC1(C(=O)N2CCOCC2CC(=O)O)CCC1
InChIInChI=1S/C12H20N2O4/c13-8-12(2-1-3-12)11(17)14-4-5-18-7-9(14)6-10(15)16/h9H,1-8,13H2,(H,15,16)
InChIKeyDDXCKNCVSKPKSC-UHFFFAOYSA-N
XLogP-0.18
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone
CID 80588742
[1-(aminomethyl)-4-methylcyclohexyl]-(3-methylmorpholin-4-yl)methanone
CID 113310457
2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid
CID 129414261
2-[4-[(2R)-oxolane-2-carbonyl]morpholin-3-yl]acetic acid
CID 104855859
[1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 115447990
2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid
CID 114172612
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
2-[4-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)morpholin-3-yl]acetic acid
CID 56907370
2-[(3S)-4-(2-chloro-4,5-difluorobenzoyl)morpholin-3-yl]acetic acid
CID 124572832
2-[4-(3,5-dibromobenzoyl)morpholin-3-yl]acetic acid
CID 107971589
2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid
CID 107394034
2-[4-[(2-methylthiolan-2-yl)methylcarbamoyl]morpholin-3-yl]acetic acid
CID 80742933

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid (CID 113311756) is 2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid is NCC1(C(=O)N2CCOCC2CC(=O)O)CCC1.
What is the InChIKey of 2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid?
The InChIKey is DDXCKNCVSKPKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c13-8-12(2-1-3-12)11(17)14-4-5-18-7-9(14)6-10(15)16/h9H,1-8,13H2,(H,15,16).
What are the key properties of 2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid?
2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid has a molecular weight of 256.30 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 113311756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).