3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid

C12H24N2O3 — CID 61198782

IUPAC3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid
SMILESCC(C)CC(C)NC(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-7(2)6-9(5)13-12(17)14-10(8(3)4)11(15)16/h7-10H,6H2,1-5H3,(H,15,16)(H2,13,14,17)
InChIKeyUYQIEVBYNUEAGV-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.83
Rot. Bonds6

About 3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid

3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid (PubChem CID 61198782) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid
PubChem CID61198782
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid
SMILESCC(C)CC(C)NC(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-7(2)6-9(5)13-12(17)14-10(8(3)4)11(15)16/h7-10H,6H2,1-5H3,(H,15,16)(H2,13,14,17)
InChIKeyUYQIEVBYNUEAGV-UHFFFAOYSA-N
XLogP1.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
CID 78972526
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 82939192
(2R)-3-methyl-2-(pent-4-yn-2-ylcarbamoylamino)butanoic acid
CID 104864351
(2S)-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 54968042
3-methyl-2-(4-phenylbutan-2-ylcarbamoylamino)butanoic acid
CID 5149828
(2S)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 61203178
(2S)-2-(4-methylpentan-2-ylcarbamoylamino)hexanoic acid
CID 107145488
3-methyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoic acid
CID 118551241
(2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid
CID 107838383
2-(4-methylpentan-2-ylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 61198592
5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61199539
(2S)-2-(2,3-dimethylbutylcarbamoylamino)-3-methylbutanoic acid
CID 64598628

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid?
The IUPAC name of 3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid (CID 61198782) is 3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid is CC(C)CC(C)NC(=O)NC(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid?
The InChIKey is UYQIEVBYNUEAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-7(2)6-9(5)13-12(17)14-10(8(3)4)11(15)16/h7-10H,6H2,1-5H3,(H,15,16)(H2,13,14,17).
What are the key properties of 3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid?
3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 61198782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).