(3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide

C7H14N2O3 — CID 130668438

IUPAC(3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide
SMILESCONC(=O)N1CC[C@@H](CO)C1
InChIInChI=1S/C7H14N2O3/c1-12-8-7(11)9-3-2-6(4-9)5-10/h6,10H,2-5H2,1H3,(H,8,11)/t6-/m1/s1
InChIKeyOBQAQXTZHDMOFI-ZCFIWIBFSA-N
MW174.20 g/mol
LogP-0.43
Rot. Bonds2

About (3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide

(3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide (PubChem CID 130668438) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide
PubChem CID130668438
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide
SMILESCONC(=O)N1CC[C@@H](CO)C1
InChIInChI=1S/C7H14N2O3/c1-12-8-7(11)9-3-2-6(4-9)5-10/h6,10H,2-5H2,1H3,(H,8,11)/t6-/m1/s1
InChIKeyOBQAQXTZHDMOFI-ZCFIWIBFSA-N
XLogP-0.43
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide
CID 111443461
methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 121340788
methyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 20598102
2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 112629389
(2S)-2-amino-1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 129393084
3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide
CID 111444197
3-(hydroxymethyl)-N-(4-methylpentyl)pyrrolidine-1-carboxamide
CID 111443668
3-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 112624833
prop-2-enyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 165416751
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 112625104

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide (CID 130668438) is (3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide is CONC(=O)N1CC[C@@H](CO)C1.
What is the InChIKey of (3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide?
The InChIKey is OBQAQXTZHDMOFI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-12-8-7(11)9-3-2-6(4-9)5-10/h6,10H,2-5H2,1H3,(H,8,11)/t6-/m1/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide?
(3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide has a molecular weight of 174.20 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide is sourced from PubChem (CID 130668438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).