ethyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate

C12H24N2O3 — CID 134892070

IUPACethyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate
SMILESCCOC(=O)[C@H](NC(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C12H24N2O3/c1-7-17-10(15)9(8(2)3)13-11(16)14-12(4,5)6/h8-9H,7H2,1-6H3,(H2,13,14,16)/t9-/m1/s1
InChIKeyUOAMOJCHXNYXEV-SECBINFHSA-N
MW244.33 g/mol
LogP1.67
Rot. Bonds4

About ethyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate

ethyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate (PubChem CID 134892070) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate
PubChem CID134892070
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate
SMILESCCOC(=O)[C@H](NC(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C12H24N2O3/c1-7-17-10(15)9(8(2)3)13-11(16)14-12(4,5)6/h8-9H,7H2,1-6H3,(H2,13,14,16)/t9-/m1/s1
InChIKeyUOAMOJCHXNYXEV-SECBINFHSA-N
XLogP1.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate?
The IUPAC name of ethyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate (CID 134892070) is ethyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate.
What is the SMILES notation for ethyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate?
The canonical SMILES for ethyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate is CCOC(=O)[C@H](NC(=O)NC(C)(C)C)C(C)C.
What is the InChIKey of ethyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate?
The InChIKey is UOAMOJCHXNYXEV-SECBINFHSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-7-17-10(15)9(8(2)3)13-11(16)14-12(4,5)6/h8-9H,7H2,1-6H3,(H2,13,14,16)/t9-/m1/s1.
What are the key properties of ethyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate?
ethyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate has a molecular weight of 244.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate is sourced from PubChem (CID 134892070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).