(2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid

C12H24N2O4 — CID 79010313

IUPAC(2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid
SMILESCOCC(NC(=O)N[C@@H](C(=O)O)C(C)C)C(C)C
InChIInChI=1S/C12H24N2O4/c1-7(2)9(6-18-5)13-12(17)14-10(8(3)4)11(15)16/h7-10H,6H2,1-5H3,(H,15,16)(H2,13,14,17)/t9?,10-/m1/s1
InChIKeySGZDMPQYLNHORH-QVDQXJPCSA-N
MW260.33 g/mol
LogP1.07
Rot. Bonds7

About (2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid

(2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid (PubChem CID 79010313) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is (2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid
PubChem CID79010313
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name(2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid
SMILESCOCC(NC(=O)N[C@@H](C(=O)O)C(C)C)C(C)C
InChIInChI=1S/C12H24N2O4/c1-7(2)9(6-18-5)13-12(17)14-10(8(3)4)11(15)16/h7-10H,6H2,1-5H3,(H,15,16)(H2,13,14,17)/t9?,10-/m1/s1
InChIKeySGZDMPQYLNHORH-QVDQXJPCSA-N
XLogP1.07
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 65048182
(2S)-3-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 65048667
(2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid
CID 107828128
2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid
CID 119170014
2-methoxy-3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 106110258
2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053483
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
CID 167034901
N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654
3-methoxy-2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 81085452
3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid
CID 81083929
(2R)-2-(3-methoxypropylcarbamoylamino)-3-methylbutanoic acid
CID 79009625
4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobut-2-enoic acid
CID 77055930

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid (CID 79010313) is (2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid is COCC(NC(=O)N[C@@H](C(=O)O)C(C)C)C(C)C.
What is the InChIKey of (2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid?
The InChIKey is SGZDMPQYLNHORH-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-7(2)9(6-18-5)13-12(17)14-10(8(3)4)11(15)16/h7-10H,6H2,1-5H3,(H,15,16)(H2,13,14,17)/t9?,10-/m1/s1.
What are the key properties of (2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid?
(2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 79010313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).