(2S)-N-(2,3-dihydroxypropyl)-3-methyl-2-(methylamino)butanamide

C9H20N2O3 — CID 59986552

IUPAC(2S)-N-(2,3-dihydroxypropyl)-3-methyl-2-(methylamino)butanamide
SMILESCN[C@H](C(=O)NCC(O)CO)C(C)C
InChIInChI=1S/C9H20N2O3/c1-6(2)8(10-3)9(14)11-4-7(13)5-12/h6-8,10,12-13H,4-5H2,1-3H3,(H,11,14)/t7?,8-/m0/s1
InChIKeyAHTQSABDXVNHQS-MQWKRIRWSA-N
MW204.27 g/mol
LogP-1.30
Rot. Bonds6

About (2S)-N-(2,3-dihydroxypropyl)-3-methyl-2-(methylamino)butanamide

(2S)-N-(2,3-dihydroxypropyl)-3-methyl-2-(methylamino)butanamide (PubChem CID 59986552) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S)-N-(2,3-dihydroxypropyl)-3-methyl-2-(methylamino)butanamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dihydroxypropyl)-3-methyl-2-(methylamino)butanamide
PubChem CID59986552
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name(2S)-N-(2,3-dihydroxypropyl)-3-methyl-2-(methylamino)butanamide
SMILESCN[C@H](C(=O)NCC(O)CO)C(C)C
InChIInChI=1S/C9H20N2O3/c1-6(2)8(10-3)9(14)11-4-7(13)5-12/h6-8,10,12-13H,4-5H2,1-3H3,(H,11,14)/t7?,8-/m0/s1
InChIKeyAHTQSABDXVNHQS-MQWKRIRWSA-N
XLogP-1.30
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dihydroxypropyl)-3-methyl-2-(methylamino)butanamide?
The IUPAC name of (2S)-N-(2,3-dihydroxypropyl)-3-methyl-2-(methylamino)butanamide (CID 59986552) is (2S)-N-(2,3-dihydroxypropyl)-3-methyl-2-(methylamino)butanamide.
What is the SMILES notation for (2S)-N-(2,3-dihydroxypropyl)-3-methyl-2-(methylamino)butanamide?
The canonical SMILES for (2S)-N-(2,3-dihydroxypropyl)-3-methyl-2-(methylamino)butanamide is CN[C@H](C(=O)NCC(O)CO)C(C)C.
What is the InChIKey of (2S)-N-(2,3-dihydroxypropyl)-3-methyl-2-(methylamino)butanamide?
The InChIKey is AHTQSABDXVNHQS-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-6(2)8(10-3)9(14)11-4-7(13)5-12/h6-8,10,12-13H,4-5H2,1-3H3,(H,11,14)/t7?,8-/m0/s1.
What are the key properties of (2S)-N-(2,3-dihydroxypropyl)-3-methyl-2-(methylamino)butanamide?
(2S)-N-(2,3-dihydroxypropyl)-3-methyl-2-(methylamino)butanamide has a molecular weight of 204.27 g/mol, XLogP of -1.30, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-dihydroxypropyl)-3-methyl-2-(methylamino)butanamide is sourced from PubChem (CID 59986552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).