(2S,3S)-3-methoxypyrrolidine-2-carboxamide

C6H12N2O2 — CID 58204442

IUPAC(2S,3S)-3-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1CCN[C@@H]1C(N)=O
InChIInChI=1S/C6H12N2O2/c1-10-4-2-3-8-5(4)6(7)9/h4-5,8H,2-3H2,1H3,(H2,7,9)/t4-,5-/m0/s1
InChIKeyHJCKWYSJIHOPCL-WHFBIAKZSA-N
MW144.17 g/mol
LogP-1.15
Rot. Bonds2

About (2S,3S)-3-methoxypyrrolidine-2-carboxamide

(2S,3S)-3-methoxypyrrolidine-2-carboxamide (PubChem CID 58204442) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2S,3S)-3-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-3-methoxypyrrolidine-2-carboxamide
PubChem CID58204442
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(2S,3S)-3-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1CCN[C@@H]1C(N)=O
InChIInChI=1S/C6H12N2O2/c1-10-4-2-3-8-5(4)6(7)9/h4-5,8H,2-3H2,1H3,(H2,7,9)/t4-,5-/m0/s1
InChIKeyHJCKWYSJIHOPCL-WHFBIAKZSA-N
XLogP-1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-[(dimethylamino)methyl]pyrrolidine-2-carboxamide
CID 58092781
3-methoxy-2-methylpyrrolidine
CID 105427057
methyl (2S,3R)-3-aminopyrrolidine-2-carboxylate
CID 45090024
methyl 3-aminopyrrolidine-2-carboxylate
CID 75089215
methyl (2S)-3-aminopyrrolidine-2-carboxylate
CID 141294967
(2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide
CID 141395914
diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate
CID 99768949
methyl (2S,3R)-3-methylpyrrolidine-2-carboxylate
CID 45089991
methyl (3R)-3-hydroxypyrrolidine-2-carboxylate
CID 54509998
methyl (2S,3S)-3-prop-2-enoxypyrrolidine-2-carboxylate
CID 168721496
methyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate
CID 102778052
methyl (2S,3S,4R)-3,4-dihydroxypiperidine-2-carboxylate
CID 178197389

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,3S)-3-methoxypyrrolidine-2-carboxamide (CID 58204442) is (2S,3S)-3-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,3S)-3-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,3S)-3-methoxypyrrolidine-2-carboxamide is CO[C@H]1CCN[C@@H]1C(N)=O.
What is the InChIKey of (2S,3S)-3-methoxypyrrolidine-2-carboxamide?
The InChIKey is HJCKWYSJIHOPCL-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-10-4-2-3-8-5(4)6(7)9/h4-5,8H,2-3H2,1H3,(H2,7,9)/t4-,5-/m0/s1.
What are the key properties of (2S,3S)-3-methoxypyrrolidine-2-carboxamide?
(2S,3S)-3-methoxypyrrolidine-2-carboxamide has a molecular weight of 144.17 g/mol, XLogP of -1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 58204442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).