[(3R)-1-acetylpyrrolidin-3-yl] carbamate

C7H12N2O3 — CID 89323069

IUPAC[(3R)-1-acetylpyrrolidin-3-yl] carbamate
SMILESCC(=O)N1CC[C@@H](OC(N)=O)C1
InChIInChI=1S/C7H12N2O3/c1-5(10)9-3-2-6(4-9)12-7(8)11/h6H,2-4H2,1H3,(H2,8,11)/t6-/m1/s1
InChIKeyQTYDYVUICXOPRC-ZCFIWIBFSA-N
MW172.18 g/mol
LogP-0.30
Rot. Bonds1

About [(3R)-1-acetylpyrrolidin-3-yl] carbamate

[(3R)-1-acetylpyrrolidin-3-yl] carbamate (PubChem CID 89323069) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is [(3R)-1-acetylpyrrolidin-3-yl] carbamate.

Molecular Properties

Compound Name[(3R)-1-acetylpyrrolidin-3-yl] carbamate
PubChem CID89323069
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name[(3R)-1-acetylpyrrolidin-3-yl] carbamate
SMILESCC(=O)N1CC[C@@H](OC(N)=O)C1
InChIInChI=1S/C7H12N2O3/c1-5(10)9-3-2-6(4-9)12-7(8)11/h6H,2-4H2,1H3,(H2,8,11)/t6-/m1/s1
InChIKeyQTYDYVUICXOPRC-ZCFIWIBFSA-N
XLogP-0.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-acetylazetidin-3-yl) carbamate
CID 155065317
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602
1-(3-methylsulfanyloxypyrrolidin-1-yl)ethanone
CID 130400151
1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone
CID 57091302
(1-carbamoylpiperidin-3-yl) carbamate
CID 175095233
tert-butyl 4-carbamoyloxypiperidine-1-carboxylate
CID 21292956
2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754
(1-acetylpyrrolidin-3-yl) 2-methylprop-2-enoate;1-(3-hydroxypyrrolidin-1-yl)ethanone;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 161320401
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
[1-(3-methylbutyl)pyrrolidin-3-yl] carbamate
CID 174922381
1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 55267746
(1-acetyl-2-tert-butylpiperidin-4-yl) carbamate
CID 142727662

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-acetylpyrrolidin-3-yl] carbamate?
The IUPAC name of [(3R)-1-acetylpyrrolidin-3-yl] carbamate (CID 89323069) is [(3R)-1-acetylpyrrolidin-3-yl] carbamate.
What is the SMILES notation for [(3R)-1-acetylpyrrolidin-3-yl] carbamate?
The canonical SMILES for [(3R)-1-acetylpyrrolidin-3-yl] carbamate is CC(=O)N1CC[C@@H](OC(N)=O)C1.
What is the InChIKey of [(3R)-1-acetylpyrrolidin-3-yl] carbamate?
The InChIKey is QTYDYVUICXOPRC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-5(10)9-3-2-6(4-9)12-7(8)11/h6H,2-4H2,1H3,(H2,8,11)/t6-/m1/s1.
What are the key properties of [(3R)-1-acetylpyrrolidin-3-yl] carbamate?
[(3R)-1-acetylpyrrolidin-3-yl] carbamate has a molecular weight of 172.18 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-acetylpyrrolidin-3-yl] carbamate is sourced from PubChem (CID 89323069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).