(2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid

C12H24N2O3 — CID 103927599

IUPAC(2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
SMILESCC(C)CN(C)C(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-8(2)7-14(6)11(17)13-9(10(15)16)12(3,4)5/h8-9H,7H2,1-6H3,(H,13,17)(H,15,16)/t9-/m0/s1
InChIKeyQSBFXRDQKWHYOQ-VIFPVBQESA-N
MW244.33 g/mol
LogP1.78
Rot. Bonds4

About (2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid

(2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid (PubChem CID 103927599) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
PubChem CID103927599
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
SMILESCC(C)CN(C)C(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-8(2)7-14(6)11(17)13-9(10(15)16)12(3,4)5/h8-9H,7H2,1-6H3,(H,13,17)(H,15,16)/t9-/m0/s1
InChIKeyQSBFXRDQKWHYOQ-VIFPVBQESA-N
XLogP1.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 103927908
(2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
CID 113353206
(2S)-3,3-dimethyl-2-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61196070
(2S)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 104864085
(2R)-3,3-dimethyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]butanoic acid
CID 103955197
2-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 63228224
(2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 46737712
(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61203080
(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 103927983
2-[[3-methoxypropyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 62996165
(2R)-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 104985531
(2S)-3,3-dimethyl-2-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]butanoic acid
CID 61452367

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid (CID 103927599) is (2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid is CC(C)CN(C)C(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid?
The InChIKey is QSBFXRDQKWHYOQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(2)7-14(6)11(17)13-9(10(15)16)12(3,4)5/h8-9H,7H2,1-6H3,(H,13,17)(H,15,16)/t9-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid?
(2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 103927599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).