(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide

C11H22N2O3 — CID 106101444

IUPAC(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C11H22N2O3/c1-10(2,3)8(12)9(14)13-6-11(15)4-5-16-7-11/h8,15H,4-7,12H2,1-3H3,(H,13,14)/t8-,11?/m1/s1
InChIKeyHLBORCZRTNUQDE-RZZZFEHKSA-N
MW230.31 g/mol
LogP-0.37
Rot. Bonds3

About (2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide (PubChem CID 106101444) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
PubChem CID106101444
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C11H22N2O3/c1-10(2,3)8(12)9(14)13-6-11(15)4-5-16-7-11/h8,15H,4-7,12H2,1-3H3,(H,13,14)/t8-,11?/m1/s1
InChIKeyHLBORCZRTNUQDE-RZZZFEHKSA-N
XLogP-0.37
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
CID 58124625
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 77210747
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 106101485
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101303
2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
CID 77056764
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
CID 106101365
N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 103849517
N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide
CID 70969174
2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103849532
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106312973
(2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride
CID 119782236

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide (CID 106101444) is (2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide is CC(C)(C)[C@H](N)C(=O)NCC1(O)CCOC1.
What is the InChIKey of (2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide?
The InChIKey is HLBORCZRTNUQDE-RZZZFEHKSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(2,3)8(12)9(14)13-6-11(15)4-5-16-7-11/h8,15H,4-7,12H2,1-3H3,(H,13,14)/t8-,11?/m1/s1.
What are the key properties of (2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide has a molecular weight of 230.31 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 106101444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).