(2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid

C12H24N2O3 — CID 46737712

IUPAC(2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
SMILESCN(C(=O)N[C@H](C(=O)O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-11(2,3)8(9(15)16)13-10(17)14(7)12(4,5)6/h8H,1-7H3,(H,13,17)(H,15,16)/t8-/m1/s1
InChIKeyUFZXJCRZPKUAAJ-MRVPVSSYSA-N
MW244.33 g/mol
LogP1.93
Rot. Bonds2

About (2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid

(2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 46737712) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
PubChem CID46737712
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
SMILESCN(C(=O)N[C@H](C(=O)O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-11(2,3)8(9(15)16)13-10(17)14(7)12(4,5)6/h8H,1-7H3,(H,13,17)(H,15,16)/t8-/m1/s1
InChIKeyUFZXJCRZPKUAAJ-MRVPVSSYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid with MolForge

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Related Compounds

(2S)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 104864085
(2R)-2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 103927908
(2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 103927599
(2S)-3,3-dimethyl-2-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61196070
(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61203080
(2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
CID 113353206
(2R)-3,3-dimethyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]butanoic acid
CID 103955197
(2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 62922822
carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+)
CID 166560279
2-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 63228224
(2R)-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 102995342
2-[[3-methoxypropyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 62996165

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid (CID 46737712) is (2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid is CN(C(=O)N[C@H](C(=O)O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is UFZXJCRZPKUAAJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(2,3)8(9(15)16)13-10(17)14(7)12(4,5)6/h8H,1-7H3,(H,13,17)(H,15,16)/t8-/m1/s1.
What are the key properties of (2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
(2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 46737712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).