2-amino-N-(2,3-dihydroxypropyl)-N,3,3-trimethylbutanamide

C10H22N2O3 — CID 87430813

IUPAC2-amino-N-(2,3-dihydroxypropyl)-N,3,3-trimethylbutanamide
SMILESCN(CC(O)CO)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-10(2,3)8(11)9(15)12(4)5-7(14)6-13/h7-8,13-14H,5-6,11H2,1-4H3
InChIKeyOSVAKSNIKMDAEI-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.83
Rot. Bonds4

About 2-amino-N-(2,3-dihydroxypropyl)-N,3,3-trimethylbutanamide

2-amino-N-(2,3-dihydroxypropyl)-N,3,3-trimethylbutanamide (PubChem CID 87430813) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydroxypropyl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydroxypropyl)-N,3,3-trimethylbutanamide
PubChem CID87430813
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name2-amino-N-(2,3-dihydroxypropyl)-N,3,3-trimethylbutanamide
SMILESCN(CC(O)CO)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-10(2,3)8(11)9(15)12(4)5-7(14)6-13/h7-8,13-14H,5-6,11H2,1-4H3
InChIKeyOSVAKSNIKMDAEI-UHFFFAOYSA-N
XLogP-0.83
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydroxypropyl)-N,3,3-trimethylbutanamide?
The IUPAC name of 2-amino-N-(2,3-dihydroxypropyl)-N,3,3-trimethylbutanamide (CID 87430813) is 2-amino-N-(2,3-dihydroxypropyl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for 2-amino-N-(2,3-dihydroxypropyl)-N,3,3-trimethylbutanamide?
The canonical SMILES for 2-amino-N-(2,3-dihydroxypropyl)-N,3,3-trimethylbutanamide is CN(CC(O)CO)C(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-(2,3-dihydroxypropyl)-N,3,3-trimethylbutanamide?
The InChIKey is OSVAKSNIKMDAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-10(2,3)8(11)9(15)12(4)5-7(14)6-13/h7-8,13-14H,5-6,11H2,1-4H3.
What are the key properties of 2-amino-N-(2,3-dihydroxypropyl)-N,3,3-trimethylbutanamide?
2-amino-N-(2,3-dihydroxypropyl)-N,3,3-trimethylbutanamide has a molecular weight of 218.30 g/mol, XLogP of -0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydroxypropyl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 87430813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).