(2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid

C11H22N2O4 — CID 106330722

IUPAC(2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid
SMILESCCC(C)(CC)NC(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-11(3,5-2)13-10(17)12-8(6-7-14)9(15)16/h8,14H,4-7H2,1-3H3,(H,15,16)(H2,12,13,17)/t8-/m0/s1
InChIKeyATTMAJNACGXCQH-QMMMGPOBSA-N
MW246.31 g/mol
LogP0.70
Rot. Bonds7

About (2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid

(2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid (PubChem CID 106330722) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid
PubChem CID106330722
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name(2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid
SMILESCCC(C)(CC)NC(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-11(3,5-2)13-10(17)12-8(6-7-14)9(15)16/h8,14H,4-7H2,1-3H3,(H,15,16)(H2,12,13,17)/t8-/m0/s1
InChIKeyATTMAJNACGXCQH-QMMMGPOBSA-N
XLogP0.70
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-methylpentan-3-ylcarbamoylamino)pentanedioic acid
CID 114174501
(2S)-4-hydroxy-2-(2-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 107829003
(2S)-2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 107827322
(2R)-4-hydroxy-2-(2-methylbut-3-yn-2-ylcarbamoylamino)butanoic acid
CID 107827927
2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 106330759
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
2-(3-methylpentan-3-ylcarbamoylamino)pent-4-enoic acid
CID 106330764
2-(3-methylpentan-3-ylcarbamoylamino)-3-phenylpropanoic acid
CID 106330586
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid
CID 62835355
(2S)-4-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 107826796
(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid
CID 106279185
(2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 13066457

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid (CID 106330722) is (2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid is CCC(C)(CC)NC(=O)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid?
The InChIKey is ATTMAJNACGXCQH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-4-11(3,5-2)13-10(17)12-8(6-7-14)9(15)16/h8,14H,4-7H2,1-3H3,(H,15,16)(H2,12,13,17)/t8-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid?
(2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.70, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 106330722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).