(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide

C8H16N2O3 — CID 167729627

IUPAC(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOC[C@@H]1C[C@H](OC)CN1C(N)=O
InChIInChI=1S/C8H16N2O3/c1-12-5-6-3-7(13-2)4-10(6)8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11)/t6-,7-/m0/s1
InChIKeyCEVPXZGCCMNXKN-BQBZGAKWSA-N
MW188.23 g/mol
LogP-0.20
Rot. Bonds3

About (2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide

(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide (PubChem CID 167729627) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide
PubChem CID167729627
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOC[C@@H]1C[C@H](OC)CN1C(N)=O
InChIInChI=1S/C8H16N2O3/c1-12-5-6-3-7(13-2)4-10(6)8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11)/t6-,7-/m0/s1
InChIKeyCEVPXZGCCMNXKN-BQBZGAKWSA-N
XLogP-0.20
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxamide
CID 127011619
1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 155238412
2-(cyclopropylmethoxy)-1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 128983185
1-[(2S,4R)-4-ethoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 153365620
[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 128984328
[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128984337
(3,5-dimethyl-1H-pyrrol-2-yl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128983104
(4-methoxy-3,5-dimethylphenyl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128984379
1-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyloctane-1,6-dione
CID 118494456
[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-[1-(3-methylbutyl)triazol-4-yl]methanone
CID 128983112
1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 128984367
1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 154740365

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide (CID 167729627) is (2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide is COC[C@@H]1C[C@H](OC)CN1C(N)=O.
What is the InChIKey of (2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is CEVPXZGCCMNXKN-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-12-5-6-3-7(13-2)4-10(6)8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11)/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide?
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 188.23 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 167729627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).