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

C10H18N2O5 — CID 115292421

IUPAC4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid
SMILESCOCC(N)C(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H18N2O5/c1-16-6-7(11)8(13)12-10(9(14)15)2-4-17-5-3-10/h7H,2-6,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyUVSSQEGTUAVMLG-UHFFFAOYSA-N
MW246.26 g/mol
LogP-1.29
Rot. Bonds5

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

4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid (PubChem CID 115292421) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid
PubChem CID115292421
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid
SMILESCOCC(N)C(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H18N2O5/c1-16-6-7(11)8(13)12-10(9(14)15)2-4-17-5-3-10/h7H,2-6,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyUVSSQEGTUAVMLG-UHFFFAOYSA-N
XLogP-1.29
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(2,2,2-Trifluoroethylamino)acetyl]amino]oxane-4-carboxylic acid
CID 115292413
3-Methyl-2-(morpholine-3-carbonylamino)butanoic acid
CID 65517648
(2S)-3-methyl-2-(morpholine-3-carbonylamino)butanoic acid
CID 65520072
4-[[1-Amino-3-[2-(carboxymethylamino)ethylamino]-1-oxopropan-2-yl]-methylamino]oxane-4-carboxylic acid
CID 67898936
4-[[2-(Tert-butylamino)acetyl]amino]oxane-4-carboxylic acid
CID 115292422
4-[2-(Diethylamino)ethylamino]oxane-4-carboxylic acid
CID 54890619
3-Methyl-2-[[2-(oxan-4-ylamino)-2-oxoethyl]amino]butanoic acid
CID 55182457
4-[2-(Dimethylamino)ethylamino]oxane-4-carboxylic acid
CID 61001537
4-(2-Methoxyethylamino)oxane-4-carboxylic acid
CID 61340667
2-Methyl-2-[[2-(oxan-4-ylamino)-2-oxoethyl]amino]pentanoic acid
CID 63098363
3-[(2-Amino-3-methylbutanoyl)amino]oxolane-3-carboxylic acid
CID 64889284
3-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid
CID 64889469

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid (CID 115292421) is 4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid is COCC(N)C(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid?
The InChIKey is UVSSQEGTUAVMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-16-6-7(11)8(13)12-10(9(14)15)2-4-17-5-3-10/h7H,2-6,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid?
4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid has a molecular weight of 246.26 g/mol, XLogP of -1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115292421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).