(2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride

C12H25ClN2O3 — CID 119340273

IUPAC(2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride
SMILESCC(COC1CCOC1)NC(=O)[C@@H](N)C(C)C.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-8(2)11(13)12(15)14-9(3)6-17-10-4-5-16-7-10;/h8-11H,4-7,13H2,1-3H3,(H,14,15);1H/t9?,10?,11-;/m0./s1
InChIKeyLHXKODINMPQRPA-ODAKKJAFSA-N
MW280.80 g/mol
LogP0.70
Rot. Bonds6

About (2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride

(2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride (PubChem CID 119340273) has the molecular formula C12H25ClN2O3 and a molecular weight of 280.80 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride
PubChem CID119340273
Molecular FormulaC12H25ClN2O3
Molecular Weight280.80 g/mol
Exact Mass280.16
IUPAC Name(2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride
SMILESCC(COC1CCOC1)NC(=O)[C@@H](N)C(C)C.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-8(2)11(13)12(15)14-9(3)6-17-10-4-5-16-7-10;/h8-11H,4-7,13H2,1-3H3,(H,14,15);1H/t9?,10?,11-;/m0./s1
InChIKeyLHXKODINMPQRPA-ODAKKJAFSA-N
XLogP0.70
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide
CID 119812763
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
3-amino-N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119952304
N-methyl-1-(oxolan-3-yloxy)propan-2-amine
CID 63556835
4-[[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]carbamoyl]benzoic acid
CID 125132997
2-(2-aminoethyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637561
N-[1-(oxolan-3-yloxy)propan-2-yl]piperidine-2-carboxamide
CID 119340242
2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide
CID 115868590
N-[1-(oxolan-3-yloxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119340243
(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-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride (CID 119340273) is (2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride is CC(COC1CCOC1)NC(=O)[C@@H](N)C(C)C.Cl.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride?
The InChIKey is LHXKODINMPQRPA-ODAKKJAFSA-N. The full InChI is InChI=1S/C12H24N2O3.ClH/c1-8(2)11(13)12(15)14-9(3)6-17-10-4-5-16-7-10;/h8-11H,4-7,13H2,1-3H3,(H,14,15);1H/t9?,10?,11-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride?
(2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride is sourced from PubChem (CID 119340273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).