(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid

C12H22N2O5 — CID 114005796

IUPAC(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid
SMILESCC1(C)CC(NC(=O)N[C@@H](CCO)C(=O)O)CCO1
InChIInChI=1S/C12H22N2O5/c1-12(2)7-8(4-6-19-12)13-11(18)14-9(3-5-15)10(16)17/h8-9,15H,3-7H2,1-2H3,(H,16,17)(H2,13,14,18)/t8?,9-/m0/s1
InChIKeyYGDOYJPKNUCBTJ-GKAPJAKFSA-N
MW274.32 g/mol
LogP0.08
Rot. Bonds5

About (2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid

(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid (PubChem CID 114005796) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid
PubChem CID114005796
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid
SMILESCC1(C)CC(NC(=O)N[C@@H](CCO)C(=O)O)CCO1
InChIInChI=1S/C12H22N2O5/c1-12(2)7-8(4-6-19-12)13-11(18)14-9(3-5-15)10(16)17/h8-9,15H,3-7H2,1-2H3,(H,16,17)(H2,13,14,18)/t8?,9-/m0/s1
InChIKeyYGDOYJPKNUCBTJ-GKAPJAKFSA-N
XLogP0.08
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic 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

(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 83028517
(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]hexanoic acid
CID 107146447
5-amino-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-5-oxopentanoic acid
CID 83034512
2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 83028431
(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid
CID 107826347
(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid
CID 107823850
4-[(2,2-dimethyloxan-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 83029194
(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
CID 114005381
2-[(2,2-diethyloxan-4-yl)carbamoylamino]butanoic acid
CID 83028212
(2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 107826156
4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid
CID 83032758
4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 54949791

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid (CID 114005796) is (2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid is CC1(C)CC(NC(=O)N[C@@H](CCO)C(=O)O)CCO1.
What is the InChIKey of (2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is YGDOYJPKNUCBTJ-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-12(2)7-8(4-6-19-12)13-11(18)14-9(3-5-15)10(16)17/h8-9,15H,3-7H2,1-2H3,(H,16,17)(H2,13,14,18)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid?
(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.08, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 114005796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).