2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride

C10H19ClN2O3 — CID 120992551

IUPAC2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride
SMILESCOCC(N)C(=O)NC1CC2CCC1O2.Cl
InChIInChI=1S/C10H18N2O3.ClH/c1-14-5-7(11)10(13)12-8-4-6-2-3-9(8)15-6;/h6-9H,2-5,11H2,1H3,(H,12,13);1H
InChIKeyDJIPKIQFZMDYLC-UHFFFAOYSA-N
MW250.73 g/mol
LogP-0.18
Rot. Bonds4

About 2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride

2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride (PubChem CID 120992551) has the molecular formula C10H19ClN2O3 and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride
PubChem CID120992551
Molecular FormulaC10H19ClN2O3
Molecular Weight250.73 g/mol
Exact Mass250.11
IUPAC Name2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride
SMILESCOCC(N)C(=O)NC1CC2CCC1O2.Cl
InChIInChI=1S/C10H18N2O3.ClH/c1-14-5-7(11)10(13)12-8-4-6-2-3-9(8)15-6;/h6-9H,2-5,11H2,1H3,(H,12,13);1H
InChIKeyDJIPKIQFZMDYLC-UHFFFAOYSA-N
XLogP-0.18
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 80602589
2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80719983
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 80721149
2-amino-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 81082525
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113480886
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 121526940
(3S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124845894
(3R)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124845896
(3R)-N-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124845897
(3S)-N-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124845899
2-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 130165220
N-(3-acetamido-7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
CID 59468287

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride (CID 120992551) is 2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride is COCC(N)C(=O)NC1CC2CCC1O2.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride?
The InChIKey is DJIPKIQFZMDYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3.ClH/c1-14-5-7(11)10(13)12-8-4-6-2-3-9(8)15-6;/h6-9H,2-5,11H2,1H3,(H,12,13);1H.
What are the key properties of 2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride?
2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 120992551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).