2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]azetidin-3-yl]propanoic acid

C12H20N2O5 — CID 116683137

IUPAC2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]azetidin-3-yl]propanoic acid
SMILESCOC(=O)CCN(C)C(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C12H20N2O5/c1-8(11(16)17)9-6-14(7-9)12(18)13(2)5-4-10(15)19-3/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyZWWYRXSRSHHUNU-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.25
Rot. Bonds5

About 2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]azetidin-3-yl]propanoic acid

2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 116683137) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]azetidin-3-yl]propanoic acid
PubChem CID116683137
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]azetidin-3-yl]propanoic acid
SMILESCOC(=O)CCN(C)C(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C12H20N2O5/c1-8(11(16)17)9-6-14(7-9)12(18)13(2)5-4-10(15)19-3/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyZWWYRXSRSHHUNU-UHFFFAOYSA-N
XLogP0.25
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2,2-difluoroethyl(methyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683653
2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875250
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 79181416
2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683119
3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097
2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683147
methyl 3-[methyl(3-methylbutanoyl)amino]propanoate
CID 61028943
5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897
2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid
CID 116681516
(2S,3S)-2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 55001754
1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720389
methyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate
CID 79163753

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]azetidin-3-yl]propanoic acid (CID 116683137) is 2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]azetidin-3-yl]propanoic acid is COC(=O)CCN(C)C(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is ZWWYRXSRSHHUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-8(11(16)17)9-6-14(7-9)12(18)13(2)5-4-10(15)19-3/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 272.30 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).