4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid

C12H22N2O5 — CID 81101959

IUPAC4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)C(N)COC)C1COCC1C(=O)O
InChIInChI=1S/C12H22N2O5/c1-3-4-14(11(15)9(13)6-18-2)10-7-19-5-8(10)12(16)17/h8-10H,3-7,13H2,1-2H3,(H,16,17)
InChIKeyFAIJHGDWVRZOND-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.70
Rot. Bonds7

About 4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid

4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid (PubChem CID 81101959) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid
PubChem CID81101959
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)C(N)COC)C1COCC1C(=O)O
InChIInChI=1S/C12H22N2O5/c1-3-4-14(11(15)9(13)6-18-2)10-7-19-5-8(10)12(16)17/h8-10H,3-7,13H2,1-2H3,(H,16,17)
InChIKeyFAIJHGDWVRZOND-UHFFFAOYSA-N
XLogP-0.70
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid
CID 66254352
4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid
CID 103930132
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 83205759
4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid
CID 66251760
4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 81037296
4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid
CID 103018900
4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254547
4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252537
4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66254737
4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid
CID 107570009

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid (CID 81101959) is 4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)C(N)COC)C1COCC1C(=O)O.
What is the InChIKey of 4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid?
The InChIKey is FAIJHGDWVRZOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-3-4-14(11(15)9(13)6-18-2)10-7-19-5-8(10)12(16)17/h8-10H,3-7,13H2,1-2H3,(H,16,17).
What are the key properties of 4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid?
4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of -0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 81101959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).