(2S)-2-amino-N-(1-cyclopropylethyl)-N-methylpentanamide

C11H22N2O — CID 107568254

IUPAC(2S)-2-amino-N-(1-cyclopropylethyl)-N-methylpentanamide
SMILESCCC[C@H](N)C(=O)N(C)C(C)C1CC1
InChIInChI=1S/C11H22N2O/c1-4-5-10(12)11(14)13(3)8(2)9-6-7-9/h8-10H,4-7,12H2,1-3H3/t8?,10-/m0/s1
InChIKeyRMXTZIDTTXTWRX-HTLJXXAVSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds5

About (2S)-2-amino-N-(1-cyclopropylethyl)-N-methylpentanamide

(2S)-2-amino-N-(1-cyclopropylethyl)-N-methylpentanamide (PubChem CID 107568254) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-cyclopropylethyl)-N-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-cyclopropylethyl)-N-methylpentanamide
PubChem CID107568254
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-2-amino-N-(1-cyclopropylethyl)-N-methylpentanamide
SMILESCCC[C@H](N)C(=O)N(C)C(C)C1CC1
InChIInChI=1S/C11H22N2O/c1-4-5-10(12)11(14)13(3)8(2)9-6-7-9/h8-10H,4-7,12H2,1-3H3/t8?,10-/m0/s1
InChIKeyRMXTZIDTTXTWRX-HTLJXXAVSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-cyclopropylethyl)-N-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(1-cyclopropylethyl)-N-methylpentanamide (CID 107568254) is (2S)-2-amino-N-(1-cyclopropylethyl)-N-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-cyclopropylethyl)-N-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(1-cyclopropylethyl)-N-methylpentanamide is CCC[C@H](N)C(=O)N(C)C(C)C1CC1.
What is the InChIKey of (2S)-2-amino-N-(1-cyclopropylethyl)-N-methylpentanamide?
The InChIKey is RMXTZIDTTXTWRX-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-5-10(12)11(14)13(3)8(2)9-6-7-9/h8-10H,4-7,12H2,1-3H3/t8?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-cyclopropylethyl)-N-methylpentanamide?
(2S)-2-amino-N-(1-cyclopropylethyl)-N-methylpentanamide has a molecular weight of 198.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-cyclopropylethyl)-N-methylpentanamide is sourced from PubChem (CID 107568254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).