4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid

C12H22N2O4 — CID 66254352

IUPAC4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)[C@H](N)CC)C1COCC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-5-14(11(15)9(13)4-2)10-7-18-6-8(10)12(16)17/h8-10H,3-7,13H2,1-2H3,(H,16,17)/t8?,9-,10?/m1/s1
InChIKeyQSTCRXDFSYBBFU-HWOCKDDLSA-N
MW258.32 g/mol
LogP0.06
Rot. Bonds6

About 4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid

4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid (PubChem CID 66254352) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid
PubChem CID66254352
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)[C@H](N)CC)C1COCC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-5-14(11(15)9(13)4-2)10-7-18-6-8(10)12(16)17/h8-10H,3-7,13H2,1-2H3,(H,16,17)/t8?,9-,10?/m1/s1
InChIKeyQSTCRXDFSYBBFU-HWOCKDDLSA-N
XLogP0.06
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid
CID 81101959
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-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254547
4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66254737
4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid
CID 107570009
4-[(2-propan-2-ylsulfanylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66253390
4-[[1-(aminomethyl)cyclopropanecarbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115453467
4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid
CID 66252612
4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid
CID 83113841
4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 103162016

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid (CID 66254352) is 4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)[C@H](N)CC)C1COCC1C(=O)O.
What is the InChIKey of 4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid?
The InChIKey is QSTCRXDFSYBBFU-HWOCKDDLSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-5-14(11(15)9(13)4-2)10-7-18-6-8(10)12(16)17/h8-10H,3-7,13H2,1-2H3,(H,16,17)/t8?,9-,10?/m1/s1.
What are the key properties of 4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid?
4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66254352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).