(2R,3R)-N-[(dimethylamino)methyl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide

C12H25N3O2 — CID 59064270

IUPAC(2R,3R)-N-[(dimethylamino)methyl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide
SMILESCO[C@@H]([C@@H]1CCCN1)[C@@H](C)C(=O)NCN(C)C
InChIInChI=1S/C12H25N3O2/c1-9(12(16)14-8-15(2)3)11(17-4)10-6-5-7-13-10/h9-11,13H,5-8H2,1-4H3,(H,14,16)/t9-,10+,11-/m1/s1
InChIKeyVZTQYDAJGAQSEY-OUAUKWLOSA-N
MW243.35 g/mol
LogP0.02
Rot. Bonds6

About (2R,3R)-N-[(dimethylamino)methyl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide

(2R,3R)-N-[(dimethylamino)methyl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide (PubChem CID 59064270) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2R,3R)-N-[(dimethylamino)methyl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide.

Molecular Properties

Compound Name(2R,3R)-N-[(dimethylamino)methyl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide
PubChem CID59064270
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name(2R,3R)-N-[(dimethylamino)methyl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide
SMILESCO[C@@H]([C@@H]1CCCN1)[C@@H](C)C(=O)NCN(C)C
InChIInChI=1S/C12H25N3O2/c1-9(12(16)14-8-15(2)3)11(17-4)10-6-5-7-13-10/h9-11,13H,5-8H2,1-4H3,(H,14,16)/t9-,10+,11-/m1/s1
InChIKeyVZTQYDAJGAQSEY-OUAUKWLOSA-N
XLogP0.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide
CID 168957805
N-(2-fluoroethyl)-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide
CID 172288767
(4R,5S)-5-[(2S)-butan-2-yl]-4-methoxypyrrolidin-2-one
CID 57082702
(2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxohexan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 58114237
(2R)-N-[(3R,4R,5S)-1-[(2R)-2-[(1R,2R)-3-[(dimethylamino)methylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,3-dimethylbutanamide
CID 59064267
[[(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoyl]amino]methyl-methyl-methylideneazanium
CID 59064269
tert-butyl (2S)-2-[(1R,2R)-3-[(dimethylamino)methylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylate
CID 59064271
3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-1-ium-2-yl]propanamide
CID 59974252
3-methoxy-N,2-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanamide
CID 59974255
tert-butyl (2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-(methylamino)-3-oxopropyl]pyrrolidine-1-carboxylate
CID 90069424
(2R,3R)-3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 90069427
N-[(3R,5S)-1-[2-[(1R,2R)-3-[(dimethylamino)methylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-[[2-(dimethylamino)-3-methylbutanoyl]amino]-N,3-dimethylbutanamide
CID 91226550

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(dimethylamino)methyl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide?
The IUPAC name of (2R,3R)-N-[(dimethylamino)methyl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide (CID 59064270) is (2R,3R)-N-[(dimethylamino)methyl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide.
What is the SMILES notation for (2R,3R)-N-[(dimethylamino)methyl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide?
The canonical SMILES for (2R,3R)-N-[(dimethylamino)methyl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide is CO[C@@H]([C@@H]1CCCN1)[C@@H](C)C(=O)NCN(C)C.
What is the InChIKey of (2R,3R)-N-[(dimethylamino)methyl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide?
The InChIKey is VZTQYDAJGAQSEY-OUAUKWLOSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(12(16)14-8-15(2)3)11(17-4)10-6-5-7-13-10/h9-11,13H,5-8H2,1-4H3,(H,14,16)/t9-,10+,11-/m1/s1.
What are the key properties of (2R,3R)-N-[(dimethylamino)methyl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide?
(2R,3R)-N-[(dimethylamino)methyl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide has a molecular weight of 243.35 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(dimethylamino)methyl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide is sourced from PubChem (CID 59064270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).