(2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid

C11H22N2O5 — CID 107828128

IUPAC(2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid
SMILESCOCC(NC(=O)N[C@H](CCO)C(=O)O)C(C)C
InChIInChI=1S/C11H22N2O5/c1-7(2)9(6-18-3)13-11(17)12-8(4-5-14)10(15)16/h7-9,14H,4-6H2,1-3H3,(H,15,16)(H2,12,13,17)/t8-,9?/m1/s1
InChIKeyKUIDKWJAVKUFNC-VEDVMXKPSA-N
MW262.31 g/mol
LogP-0.21
Rot. Bonds8

About (2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid

(2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid (PubChem CID 107828128) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid
PubChem CID107828128
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name(2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid
SMILESCOCC(NC(=O)N[C@H](CCO)C(=O)O)C(C)C
InChIInChI=1S/C11H22N2O5/c1-7(2)9(6-18-3)13-11(17)12-8(4-5-14)10(15)16/h7-9,14H,4-6H2,1-3H3,(H,15,16)(H2,12,13,17)/t8-,9?/m1/s1
InChIKeyKUIDKWJAVKUFNC-VEDVMXKPSA-N
XLogP-0.21
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic 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)-3-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 65048667
(2S)-4-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 107826796
(2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 65048182
(2S)-4-hydroxy-2-(4-methoxybutan-2-ylcarbamoylamino)butanoic acid
CID 107828090
3-methoxy-2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 81085452
(2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 79010313
(2R)-4-hydroxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]butanoic acid
CID 107827176
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
(2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 114176530
(2S)-4-hydroxy-2-(4-methoxybutylcarbamoylamino)butanoic acid
CID 107827216
(2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid
CID 107566471
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 61227753

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid (CID 107828128) is (2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid is COCC(NC(=O)N[C@H](CCO)C(=O)O)C(C)C.
What is the InChIKey of (2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid?
The InChIKey is KUIDKWJAVKUFNC-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-7(2)9(6-18-3)13-11(17)12-8(4-5-14)10(15)16/h7-9,14H,4-6H2,1-3H3,(H,15,16)(H2,12,13,17)/t8-,9?/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid?
(2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid has a molecular weight of 262.31 g/mol, XLogP of -0.21, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 107828128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).