(2S)-2-amino-N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide

C9H20N2O3 — CID 66171235

IUPAC(2S)-2-amino-N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCC(O)CO
InChIInChI=1S/C9H20N2O3/c1-9(2,3)7(10)8(14)11-4-6(13)5-12/h6-7,12-13H,4-5,10H2,1-3H3,(H,11,14)/t6?,7-/m1/s1
InChIKeyDMCONAPBJCYQNX-COBSHVIPSA-N
MW204.27 g/mol
LogP-1.17
Rot. Bonds4

About (2S)-2-amino-N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide

(2S)-2-amino-N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide (PubChem CID 66171235) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide
PubChem CID66171235
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name(2S)-2-amino-N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCC(O)CO
InChIInChI=1S/C9H20N2O3/c1-9(2,3)7(10)8(14)11-4-6(13)5-12/h6-7,12-13H,4-5,10H2,1-3H3,(H,11,14)/t6?,7-/m1/s1
InChIKeyDMCONAPBJCYQNX-COBSHVIPSA-N
XLogP-1.17
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide (CID 66171235) is (2S)-2-amino-N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide is CC(C)(C)[C@H](N)C(=O)NCC(O)CO.
What is the InChIKey of (2S)-2-amino-N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide?
The InChIKey is DMCONAPBJCYQNX-COBSHVIPSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-9(2,3)7(10)8(14)11-4-6(13)5-12/h6-7,12-13H,4-5,10H2,1-3H3,(H,11,14)/t6?,7-/m1/s1.
What are the key properties of (2S)-2-amino-N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide has a molecular weight of 204.27 g/mol, XLogP of -1.17, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 66171235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).