(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid

C11H22N2O3 — CID 23659740

IUPAC(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)NC(=O)N[C@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-10(2,3)7(8(14)15)12-9(16)13-11(4,5)6/h7H,1-6H3,(H,14,15)(H2,12,13,16)/t7-/m1/s1
InChIKeyRAAPXVRHYBAJQU-SSDOTTSWSA-N
MW230.31 g/mol
LogP1.58
Rot. Bonds2

About (2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid

(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid (PubChem CID 23659740) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid
PubChem CID23659740
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)NC(=O)N[C@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-10(2,3)7(8(14)15)12-9(16)13-11(4,5)6/h7H,1-6H3,(H,14,15)(H2,12,13,16)/t7-/m1/s1
InChIKeyRAAPXVRHYBAJQU-SSDOTTSWSA-N
XLogP1.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid (CID 23659740) is (2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid is CC(C)(C)NC(=O)N[C@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid?
The InChIKey is RAAPXVRHYBAJQU-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(2,3)7(8(14)15)12-9(16)13-11(4,5)6/h7H,1-6H3,(H,14,15)(H2,12,13,16)/t7-/m1/s1.
What are the key properties of (2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid?
(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 23659740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).