[6-[(3R)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl] carbamate

C12H15N3O4 — CID 175372374

IUPAC[6-[(3R)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl] carbamate
SMILESNC(=O)Oc1ccc(C(=O)N2CC[C@@H](CO)C2)nc1
InChIInChI=1S/C12H15N3O4/c13-12(18)19-9-1-2-10(14-5-9)11(17)15-4-3-8(6-15)7-16/h1-2,5,8,16H,3-4,6-7H2,(H2,13,18)/t8-/m1/s1
InChIKeyPENUTGXXTIBFJV-MRVPVSSYSA-N
MW265.27 g/mol
LogP-0.01
Rot. Bonds3

About [6-[(3R)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl] carbamate

[6-[(3R)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl] carbamate (PubChem CID 175372374) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is [6-[(3R)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl] carbamate.

Molecular Properties

Compound Name[6-[(3R)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl] carbamate
PubChem CID175372374
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name[6-[(3R)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl] carbamate
SMILESNC(=O)Oc1ccc(C(=O)N2CC[C@@H](CO)C2)nc1
InChIInChI=1S/C12H15N3O4/c13-12(18)19-9-1-2-10(14-5-9)11(17)15-4-3-8(6-15)7-16/h1-2,5,8,16H,3-4,6-7H2,(H2,13,18)/t8-/m1/s1
InChIKeyPENUTGXXTIBFJV-MRVPVSSYSA-N
XLogP-0.01
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[(3S)-3-hydroxypiperidine-1-carbonyl]-3-pyridinyl] carbamate
CID 174952249
[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104642023
(5-chloro-2-pyridinyl)-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 133132576
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628622
[3-(bromomethyl)pyrrolidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 80668297
6-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carboxylic acid
CID 112627134
6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 64598709
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129367707
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
CID 176989419
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55065169
(E)-3-[6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]prop-2-enoic acid
CID 114799638
[3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119464950

Frequently Asked Questions

What is the IUPAC name of [6-[(3R)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl] carbamate?
The IUPAC name of [6-[(3R)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl] carbamate (CID 175372374) is [6-[(3R)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl] carbamate.
What is the SMILES notation for [6-[(3R)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl] carbamate?
The canonical SMILES for [6-[(3R)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl] carbamate is NC(=O)Oc1ccc(C(=O)N2CC[C@@H](CO)C2)nc1.
What is the InChIKey of [6-[(3R)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl] carbamate?
The InChIKey is PENUTGXXTIBFJV-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15N3O4/c13-12(18)19-9-1-2-10(14-5-9)11(17)15-4-3-8(6-15)7-16/h1-2,5,8,16H,3-4,6-7H2,(H2,13,18)/t8-/m1/s1.
What are the key properties of [6-[(3R)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl] carbamate?
[6-[(3R)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl] carbamate has a molecular weight of 265.27 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3R)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl] carbamate is sourced from PubChem (CID 175372374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).