(5-carbamoylpyrrolidin-3-yl) carbamate

C6H11N3O3 — CID 21292973

IUPAC(5-carbamoylpyrrolidin-3-yl) carbamate
SMILESNC(=O)OC1CNC(C(N)=O)C1
InChIInChI=1S/C6H11N3O3/c7-5(10)4-1-3(2-9-4)12-6(8)11/h3-4,9H,1-2H2,(H2,7,10)(H2,8,11)
InChIKeyQWSPACDYQZHXBL-UHFFFAOYSA-N
MW173.17 g/mol
LogP-1.70
Rot. Bonds2

About (5-carbamoylpyrrolidin-3-yl) carbamate

(5-carbamoylpyrrolidin-3-yl) carbamate (PubChem CID 21292973) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is (5-carbamoylpyrrolidin-3-yl) carbamate.

Molecular Properties

Compound Name(5-carbamoylpyrrolidin-3-yl) carbamate
PubChem CID21292973
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name(5-carbamoylpyrrolidin-3-yl) carbamate
SMILESNC(=O)OC1CNC(C(N)=O)C1
InChIInChI=1S/C6H11N3O3/c7-5(10)4-1-3(2-9-4)12-6(8)11/h3-4,9H,1-2H2,(H2,7,10)(H2,8,11)
InChIKeyQWSPACDYQZHXBL-UHFFFAOYSA-N
XLogP-1.70
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-O-[(3R,5S)-5-carbamoylpyrrolidin-3-yl] 1-O-methyl (E)-but-2-enedioate
CID 122482201
4-phenoxypyrrolidine-2-carboxamide
CID 175784716
(2R,4R)-4-aminopyrrolidine-2-carboxamide
CID 58079537
4-aminopyrrolidine-2-carboxamide
CID 54213841
(2S)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 68860939
4-methylpyrrolidine-2-carboxamide;hydrochloride
CID 175423092
(2S)-4-ethylpyrrolidine-2-carboxamide
CID 130681578
[5-(2-chloroacetyl)pyrrolidin-3-yl] acetate
CID 87095572
(3-iodocyclobutyl) carbamate
CID 175447577
(3-hydroxycyclobutyl) carbamate;hydrochloride
CID 175125432
(3-ethynylcyclobutyl) carbamate
CID 142547737
4-(2-methylprop-2-enoyloxy)pyrrolidine-2-carboxylic acid
CID 76658036

Frequently Asked Questions

What is the IUPAC name of (5-carbamoylpyrrolidin-3-yl) carbamate?
The IUPAC name of (5-carbamoylpyrrolidin-3-yl) carbamate (CID 21292973) is (5-carbamoylpyrrolidin-3-yl) carbamate.
What is the SMILES notation for (5-carbamoylpyrrolidin-3-yl) carbamate?
The canonical SMILES for (5-carbamoylpyrrolidin-3-yl) carbamate is NC(=O)OC1CNC(C(N)=O)C1.
What is the InChIKey of (5-carbamoylpyrrolidin-3-yl) carbamate?
The InChIKey is QWSPACDYQZHXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c7-5(10)4-1-3(2-9-4)12-6(8)11/h3-4,9H,1-2H2,(H2,7,10)(H2,8,11).
What are the key properties of (5-carbamoylpyrrolidin-3-yl) carbamate?
(5-carbamoylpyrrolidin-3-yl) carbamate has a molecular weight of 173.17 g/mol, XLogP of -1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-carbamoylpyrrolidin-3-yl) carbamate is sourced from PubChem (CID 21292973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).