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

C8H18N2O2 — CID 58124726

IUPAC(2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCCO
InChIInChI=1S/C8H18N2O2/c1-8(2,3)6(9)7(12)10-4-5-11/h6,11H,4-5,9H2,1-3H3,(H,10,12)/t6-/m1/s1
InChIKeyLRGNPQLCQRNBHW-ZCFIWIBFSA-N
MW174.24 g/mol
LogP-0.53
Rot. Bonds3

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

(2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethylbutanamide (PubChem CID 58124726) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
PubChem CID58124726
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name(2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCCO
InChIInChI=1S/C8H18N2O2/c1-8(2,3)6(9)7(12)10-4-5-11/h6,11H,4-5,9H2,1-3H3,(H,10,12)/t6-/m1/s1
InChIKeyLRGNPQLCQRNBHW-ZCFIWIBFSA-N
XLogP-0.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethylbutanamide (CID 58124726) is (2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethylbutanamide is CC(C)(C)[C@H](N)C(=O)NCCO.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethylbutanamide?
The InChIKey is LRGNPQLCQRNBHW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,3)6(9)7(12)10-4-5-11/h6,11H,4-5,9H2,1-3H3,(H,10,12)/t6-/m1/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethylbutanamide has a molecular weight of 174.24 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 58124726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).