(2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide

C13H26N2O3 — CID 119812763

IUPAC(2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide
SMILESCC(COC1CCOC1)NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-9(7-18-10-5-6-17-8-10)15-12(16)11(14)13(2,3)4/h9-11H,5-8,14H2,1-4H3,(H,15,16)/t9?,10?,11-/m1/s1
InChIKeyISWVGRNRGICRBF-VQXHTEKXSA-N
MW258.36 g/mol
LogP0.67
Rot. Bonds5

About (2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide (PubChem CID 119812763) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide
PubChem CID119812763
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide
SMILESCC(COC1CCOC1)NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-9(7-18-10-5-6-17-8-10)15-12(16)11(14)13(2,3)4/h9-11H,5-8,14H2,1-4H3,(H,15,16)/t9?,10?,11-/m1/s1
InChIKeyISWVGRNRGICRBF-VQXHTEKXSA-N
XLogP0.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride
CID 119340273
2-amino-2-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]propanamide;hydrochloride
CID 119340247
3-amino-2-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenylpropanamide
CID 119812757
4-[[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]carbamoyl]benzoic acid
CID 125132997
oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate
CID 103927419
N-methyl-1-(oxolan-3-yloxy)propan-2-amine
CID 63556835
3-amino-N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119952304
N-[1-(oxolan-3-yloxy)propan-2-yl]piperidine-2-carboxamide
CID 119340242
(2R)-2-amino-N-(1-cyclopropylpropan-2-yl)-3,3-dimethylbutanamide
CID 103929976
(2R)-2-amino-3,3-dimethyl-N-(oxolan-3-yl)butanamide
CID 103930246
(3S,4S)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide
CID 124777101
(3S,4R)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide
CID 124777099

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide (CID 119812763) is (2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide is CC(COC1CCOC1)NC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide?
The InChIKey is ISWVGRNRGICRBF-VQXHTEKXSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(7-18-10-5-6-17-8-10)15-12(16)11(14)13(2,3)4/h9-11H,5-8,14H2,1-4H3,(H,15,16)/t9?,10?,11-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide has a molecular weight of 258.36 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide is sourced from PubChem (CID 119812763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).