2-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]-N-methylpropanamide

C8H16N2O3 — CID 131209286

IUPAC2-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N[C@@H]1COC[C@H]1O
InChIInChI=1S/C8H16N2O3/c1-5(8(12)9-2)10-6-3-13-4-7(6)11/h5-7,10-11H,3-4H2,1-2H3,(H,9,12)/t5?,6-,7-/m1/s1
InChIKeyWICOFYGDIDPQSN-JXBXZBNISA-N
MW188.23 g/mol
LogP-1.53
Rot. Bonds3

About 2-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]-N-methylpropanamide

2-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]-N-methylpropanamide (PubChem CID 131209286) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]-N-methylpropanamide
PubChem CID131209286
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N[C@@H]1COC[C@H]1O
InChIInChI=1S/C8H16N2O3/c1-5(8(12)9-2)10-6-3-13-4-7(6)11/h5-7,10-11H,3-4H2,1-2H3,(H,9,12)/t5?,6-,7-/m1/s1
InChIKeyWICOFYGDIDPQSN-JXBXZBNISA-N
XLogP-1.53
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(4-hydroxyoxolan-3-yl)-2-methylpropanamide
CID 126992722
N-(4-hydroxyoxolan-3-yl)acetamide
CID 21348706
N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 55300518
N-[(4S)-4-hydroxyoxolan-3-yl]acetamide
CID 59883173
N-[(3S,4S)-4-hydroxyoxolan-3-yl]acetamide
CID 59896148
N-((3S,4R)-4-Hydroxytetrahydrofuran-3-yl)oxalamide
CID 69151267
(2R)-2-acetamido-3-butoxy-N-[(2S)-2,3-dihydroxypropyl]propanamide
CID 88934447
(2R)-2-acetamido-3-butoxy-N-(2,3-dihydroxypropyl)propanamide
CID 89366155
Methyl 2-[2-[(3-butoxy-2-hydroxypropyl)amino]propanoylamino]propanoate
CID 90084149
N-[(3R,4R)-4-Hydroxyoxolan-3-yl]-2-methylpropanamide
CID 124251270
N-[(2R)-3-[2-(2-hydroxyethoxy)ethoxy]-2-(methylamino)propyl]-N-(2-oxopropyl)propanamide
CID 126681284
N-(4-hydroxyoxolan-3-yl)-2,2-dimethylpropanamide
CID 126993364

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]-N-methylpropanamide (CID 131209286) is 2-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]-N-methylpropanamide is CNC(=O)C(C)N[C@@H]1COC[C@H]1O.
What is the InChIKey of 2-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]-N-methylpropanamide?
The InChIKey is WICOFYGDIDPQSN-JXBXZBNISA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(8(12)9-2)10-6-3-13-4-7(6)11/h5-7,10-11H,3-4H2,1-2H3,(H,9,12)/t5?,6-,7-/m1/s1.
What are the key properties of 2-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]-N-methylpropanamide?
2-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]-N-methylpropanamide has a molecular weight of 188.23 g/mol, XLogP of -1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]-N-methylpropanamide is sourced from PubChem (CID 131209286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).