(2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid

C12H23N3O4 — CID 114176518

IUPAC(2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)C(NC(=O)N[C@@H](C(=O)O)C(C)(C)C)C(N)=O
InChIInChI=1S/C12H23N3O4/c1-6(2)7(9(13)16)14-11(19)15-8(10(17)18)12(3,4)5/h6-8H,1-5H3,(H2,13,16)(H,17,18)(H2,14,15,19)/t7?,8-/m0/s1
InChIKeyBWJMIHZKNOEGSR-MQWKRIRWSA-N
MW273.33 g/mol
LogP0.29
Rot. Bonds5

About (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid

(2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid (PubChem CID 114176518) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid
PubChem CID114176518
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name(2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)C(NC(=O)N[C@@H](C(=O)O)C(C)(C)C)C(N)=O
InChIInChI=1S/C12H23N3O4/c1-6(2)7(9(13)16)14-11(19)15-8(10(17)18)12(3,4)5/h6-8H,1-5H3,(H2,13,16)(H,17,18)(H2,14,15,19)/t7?,8-/m0/s1
InChIKeyBWJMIHZKNOEGSR-MQWKRIRWSA-N
XLogP0.29
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid with MolForge

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Related Compounds

(2S)-3,3-dimethyl-2-(4-methylpent-1-yn-3-ylcarbamoylamino)butanoic acid
CID 114202691
(2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 106346749
3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 106346897
(2S)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 61203178
(2R)-2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103927781
(2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 114176530
(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103928257
(2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid
CID 103927205
2-[(2-acetamido-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 43467424
2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]hexanoic acid
CID 106346582
(2S)-2-[[(2S)-1-(benzenesulfonamido)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoic acid
CID 58845847
(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
CID 61143223

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid (CID 114176518) is (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid is CC(C)C(NC(=O)N[C@@H](C(=O)O)C(C)(C)C)C(N)=O.
What is the InChIKey of (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid?
The InChIKey is BWJMIHZKNOEGSR-MQWKRIRWSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-6(2)7(9(13)16)14-11(19)15-8(10(17)18)12(3,4)5/h6-8H,1-5H3,(H2,13,16)(H,17,18)(H2,14,15,19)/t7?,8-/m0/s1.
What are the key properties of (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid?
(2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid has a molecular weight of 273.33 g/mol, XLogP of 0.29, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 114176518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).