(2S)-N-methyl-2-(2-methylpropylamino)propanamide

C8H18N2O — CID 5487261

IUPAC(2S)-N-methyl-2-(2-methylpropylamino)propanamide
SMILESCNC(=O)[C@H](C)NCC(C)C
InChIInChI=1S/C8H18N2O/c1-6(2)5-10-7(3)8(11)9-4/h6-7,10H,5H2,1-4H3,(H,9,11)/t7-/m0/s1
InChIKeyJPXPRUZLSKYNJH-ZETCQYMHSA-N
MW158.25 g/mol
LogP0.37
Rot. Bonds4

About (2S)-N-methyl-2-(2-methylpropylamino)propanamide

(2S)-N-methyl-2-(2-methylpropylamino)propanamide (PubChem CID 5487261) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is (2S)-N-methyl-2-(2-methylpropylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-(2-methylpropylamino)propanamide
PubChem CID5487261
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name(2S)-N-methyl-2-(2-methylpropylamino)propanamide
SMILESCNC(=O)[C@H](C)NCC(C)C
InChIInChI=1S/C8H18N2O/c1-6(2)5-10-7(3)8(11)9-4/h6-7,10H,5H2,1-4H3,(H,9,11)/t7-/m0/s1
InChIKeyJPXPRUZLSKYNJH-ZETCQYMHSA-N
XLogP0.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-(2-methylpropylamino)propanamide?
The IUPAC name of (2S)-N-methyl-2-(2-methylpropylamino)propanamide (CID 5487261) is (2S)-N-methyl-2-(2-methylpropylamino)propanamide.
What is the SMILES notation for (2S)-N-methyl-2-(2-methylpropylamino)propanamide?
The canonical SMILES for (2S)-N-methyl-2-(2-methylpropylamino)propanamide is CNC(=O)[C@H](C)NCC(C)C.
What is the InChIKey of (2S)-N-methyl-2-(2-methylpropylamino)propanamide?
The InChIKey is JPXPRUZLSKYNJH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)5-10-7(3)8(11)9-4/h6-7,10H,5H2,1-4H3,(H,9,11)/t7-/m0/s1.
What are the key properties of (2S)-N-methyl-2-(2-methylpropylamino)propanamide?
(2S)-N-methyl-2-(2-methylpropylamino)propanamide has a molecular weight of 158.25 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-(2-methylpropylamino)propanamide is sourced from PubChem (CID 5487261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).