(2S)-2-(dimethylcarbamoylamino)-3-methylbutanamide

C8H17N3O2 — CID 90964098

IUPAC(2S)-2-(dimethylcarbamoylamino)-3-methylbutanamide
SMILESCC(C)[C@H](NC(=O)N(C)C)C(N)=O
InChIInChI=1S/C8H17N3O2/c1-5(2)6(7(9)12)10-8(13)11(3)4/h5-6H,1-4H3,(H2,9,12)(H,10,13)/t6-/m0/s1
InChIKeyYXWKJMXVVACBCE-LURJTMIESA-N
MW187.24 g/mol
LogP-0.23
Rot. Bonds3

About (2S)-2-(dimethylcarbamoylamino)-3-methylbutanamide

(2S)-2-(dimethylcarbamoylamino)-3-methylbutanamide (PubChem CID 90964098) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2S)-2-(dimethylcarbamoylamino)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(dimethylcarbamoylamino)-3-methylbutanamide
PubChem CID90964098
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name(2S)-2-(dimethylcarbamoylamino)-3-methylbutanamide
SMILESCC(C)[C@H](NC(=O)N(C)C)C(N)=O
InChIInChI=1S/C8H17N3O2/c1-5(2)6(7(9)12)10-8(13)11(3)4/h5-6H,1-4H3,(H2,9,12)(H,10,13)/t6-/m0/s1
InChIKeyYXWKJMXVVACBCE-LURJTMIESA-N
XLogP-0.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylcarbamoylamino)-3-methylbutanamide?
The IUPAC name of (2S)-2-(dimethylcarbamoylamino)-3-methylbutanamide (CID 90964098) is (2S)-2-(dimethylcarbamoylamino)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(dimethylcarbamoylamino)-3-methylbutanamide?
The canonical SMILES for (2S)-2-(dimethylcarbamoylamino)-3-methylbutanamide is CC(C)[C@H](NC(=O)N(C)C)C(N)=O.
What is the InChIKey of (2S)-2-(dimethylcarbamoylamino)-3-methylbutanamide?
The InChIKey is YXWKJMXVVACBCE-LURJTMIESA-N. The full InChI is InChI=1S/C8H17N3O2/c1-5(2)6(7(9)12)10-8(13)11(3)4/h5-6H,1-4H3,(H2,9,12)(H,10,13)/t6-/m0/s1.
What are the key properties of (2S)-2-(dimethylcarbamoylamino)-3-methylbutanamide?
(2S)-2-(dimethylcarbamoylamino)-3-methylbutanamide has a molecular weight of 187.24 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylcarbamoylamino)-3-methylbutanamide is sourced from PubChem (CID 90964098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).