(2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide

C12H25N3O2 — CID 93367275

IUPAC(2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
SMILESCCC[C@@H](N)C(=O)N(CC)CC(=O)NC(C)C
InChIInChI=1S/C12H25N3O2/c1-5-7-10(13)12(17)15(6-2)8-11(16)14-9(3)4/h9-10H,5-8,13H2,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyPFVQXQBUTULXLS-SNVBAGLBSA-N
MW243.35 g/mol
LogP0.49
Rot. Bonds7

About (2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide

(2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide (PubChem CID 93367275) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
PubChem CID93367275
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name(2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
SMILESCCC[C@@H](N)C(=O)N(CC)CC(=O)NC(C)C
InChIInChI=1S/C12H25N3O2/c1-5-7-10(13)12(17)15(6-2)8-11(16)14-9(3)4/h9-10H,5-8,13H2,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyPFVQXQBUTULXLS-SNVBAGLBSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide?
The IUPAC name of (2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide (CID 93367275) is (2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide is CCC[C@@H](N)C(=O)N(CC)CC(=O)NC(C)C.
What is the InChIKey of (2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide?
The InChIKey is PFVQXQBUTULXLS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-7-10(13)12(17)15(6-2)8-11(16)14-9(3)4/h9-10H,5-8,13H2,1-4H3,(H,14,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide?
(2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide has a molecular weight of 243.35 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide is sourced from PubChem (CID 93367275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).