(2S)-2-(tert-butylcarbamoylamino)-3-methylbutanoic acid

C10H20N2O3 — CID 28508763

IUPAC(2S)-2-(tert-butylcarbamoylamino)-3-methylbutanoic acid
SMILESCC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-6(2)7(8(13)14)11-9(15)12-10(3,4)5/h6-7H,1-5H3,(H,13,14)(H2,11,12,15)/t7-/m0/s1
InChIKeyRCDXPYXXFNYXKK-ZETCQYMHSA-N
MW216.28 g/mol
LogP1.19
Rot. Bonds3

About (2S)-2-(tert-butylcarbamoylamino)-3-methylbutanoic acid

(2S)-2-(tert-butylcarbamoylamino)-3-methylbutanoic acid (PubChem CID 28508763) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-2-(tert-butylcarbamoylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(tert-butylcarbamoylamino)-3-methylbutanoic acid
PubChem CID28508763
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2S)-2-(tert-butylcarbamoylamino)-3-methylbutanoic acid
SMILESCC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-6(2)7(8(13)14)11-9(15)12-10(3,4)5/h6-7H,1-5H3,(H,13,14)(H2,11,12,15)/t7-/m0/s1
InChIKeyRCDXPYXXFNYXKK-ZETCQYMHSA-N
XLogP1.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.19
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-methylbutanoic acid?
The IUPAC name of (2S)-2-(tert-butylcarbamoylamino)-3-methylbutanoic acid (CID 28508763) is (2S)-2-(tert-butylcarbamoylamino)-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-(tert-butylcarbamoylamino)-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-(tert-butylcarbamoylamino)-3-methylbutanoic acid is CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-(tert-butylcarbamoylamino)-3-methylbutanoic acid?
The InChIKey is RCDXPYXXFNYXKK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-6(2)7(8(13)14)11-9(15)12-10(3,4)5/h6-7H,1-5H3,(H,13,14)(H2,11,12,15)/t7-/m0/s1.
What are the key properties of (2S)-2-(tert-butylcarbamoylamino)-3-methylbutanoic acid?
(2S)-2-(tert-butylcarbamoylamino)-3-methylbutanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.19, 3 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-methylbutanoic acid is sourced from PubChem (CID 28508763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).