(2S)-N-(2-aminoethyl)-2-(dimethylamino)-4-oxopentanamide

C9H19N3O2 — CID 134395700

IUPAC(2S)-N-(2-aminoethyl)-2-(dimethylamino)-4-oxopentanamide
SMILESCC(=O)C[C@@H](C(=O)NCCN)N(C)C
InChIInChI=1S/C9H19N3O2/c1-7(13)6-8(12(2)3)9(14)11-5-4-10/h8H,4-6,10H2,1-3H3,(H,11,14)/t8-/m0/s1
InChIKeyMJAYVJZUOTZWRZ-QMMMGPOBSA-N
MW201.27 g/mol
LogP-1.03
Rot. Bonds6

About (2S)-N-(2-aminoethyl)-2-(dimethylamino)-4-oxopentanamide

(2S)-N-(2-aminoethyl)-2-(dimethylamino)-4-oxopentanamide (PubChem CID 134395700) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S)-N-(2-aminoethyl)-2-(dimethylamino)-4-oxopentanamide.

Molecular Properties

Compound Name(2S)-N-(2-aminoethyl)-2-(dimethylamino)-4-oxopentanamide
PubChem CID134395700
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name(2S)-N-(2-aminoethyl)-2-(dimethylamino)-4-oxopentanamide
SMILESCC(=O)C[C@@H](C(=O)NCCN)N(C)C
InChIInChI=1S/C9H19N3O2/c1-7(13)6-8(12(2)3)9(14)11-5-4-10/h8H,4-6,10H2,1-3H3,(H,11,14)/t8-/m0/s1
InChIKeyMJAYVJZUOTZWRZ-QMMMGPOBSA-N
XLogP-1.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-aminoethyl)-2-(dimethylamino)-4-oxopentanamide?
The IUPAC name of (2S)-N-(2-aminoethyl)-2-(dimethylamino)-4-oxopentanamide (CID 134395700) is (2S)-N-(2-aminoethyl)-2-(dimethylamino)-4-oxopentanamide.
What is the SMILES notation for (2S)-N-(2-aminoethyl)-2-(dimethylamino)-4-oxopentanamide?
The canonical SMILES for (2S)-N-(2-aminoethyl)-2-(dimethylamino)-4-oxopentanamide is CC(=O)C[C@@H](C(=O)NCCN)N(C)C.
What is the InChIKey of (2S)-N-(2-aminoethyl)-2-(dimethylamino)-4-oxopentanamide?
The InChIKey is MJAYVJZUOTZWRZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(13)6-8(12(2)3)9(14)11-5-4-10/h8H,4-6,10H2,1-3H3,(H,11,14)/t8-/m0/s1.
What are the key properties of (2S)-N-(2-aminoethyl)-2-(dimethylamino)-4-oxopentanamide?
(2S)-N-(2-aminoethyl)-2-(dimethylamino)-4-oxopentanamide has a molecular weight of 201.27 g/mol, XLogP of -1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-aminoethyl)-2-(dimethylamino)-4-oxopentanamide is sourced from PubChem (CID 134395700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).