2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid

C14H26N2O5 — CID 116683119

IUPAC2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCOCCCN(CCOC)C(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C14H26N2O5/c1-11(13(17)18)12-9-16(10-12)14(19)15(6-8-21-3)5-4-7-20-2/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyMSMVHGPGOCBRGQ-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.74
Rot. Bonds9

About 2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid

2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 116683119) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid
PubChem CID116683119
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCOCCCN(CCOC)C(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C14H26N2O5/c1-11(13(17)18)12-9-16(10-12)14(19)15(6-8-21-3)5-4-7-20-2/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyMSMVHGPGOCBRGQ-UHFFFAOYSA-N
XLogP0.74
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114896858
1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147332
2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116683137
2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683147
2-[1-[ethyl(2-methoxyethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618832
1-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720596
N,N-bis(2-methoxyethyl)piperidine-1-carboxamide
CID 115578688
2-[1-[propyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683169
4-[2-methoxyethyl(3-methoxypropyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82902111
5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)hexanamide
CID 82851354
3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62668666
3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid (CID 116683119) is 2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid is COCCCN(CCOC)C(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is MSMVHGPGOCBRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-11(13(17)18)12-9-16(10-12)14(19)15(6-8-21-3)5-4-7-20-2/h11-12H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 302.37 g/mol, XLogP of 0.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).