methyl-[(3S)-pyrrolidin-3-yl]carbamic acid

C6H12N2O2 — CID 66936290

IUPACmethyl-[(3S)-pyrrolidin-3-yl]carbamic acid
SMILESCN(C(=O)O)[C@H]1CCNC1
InChIInChI=1S/C6H12N2O2/c1-8(6(9)10)5-2-3-7-4-5/h5,7H,2-4H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyCWFODZHVCJONPU-YFKPBYRVSA-N
MW144.17 g/mol
LogP-0.04
Rot. Bonds1

About methyl-[(3S)-pyrrolidin-3-yl]carbamic acid

methyl-[(3S)-pyrrolidin-3-yl]carbamic acid (PubChem CID 66936290) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl-[(3S)-pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Namemethyl-[(3S)-pyrrolidin-3-yl]carbamic acid
PubChem CID66936290
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Namemethyl-[(3S)-pyrrolidin-3-yl]carbamic acid
SMILESCN(C(=O)O)[C@H]1CCNC1
InChIInChI=1S/C6H12N2O2/c1-8(6(9)10)5-2-3-7-4-5/h5,7H,2-4H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyCWFODZHVCJONPU-YFKPBYRVSA-N
XLogP-0.04
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 174958940
N-methyl-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 119011345
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
(3S)-N-methyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 131110681
N-methyl-N-pyrrolidin-3-ylprop-2-ynamide
CID 63297797
N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid
CID 156620205
2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethanesulfinic acid
CID 84674319
N-methyl-N-pyrrolidin-3-ylbut-3-enamide
CID 63298197
N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119554778
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide
CID 119554222
2-cyclohexyl-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260670
3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea
CID 60805183

Frequently Asked Questions

What is the IUPAC name of methyl-[(3S)-pyrrolidin-3-yl]carbamic acid?
The IUPAC name of methyl-[(3S)-pyrrolidin-3-yl]carbamic acid (CID 66936290) is methyl-[(3S)-pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for methyl-[(3S)-pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for methyl-[(3S)-pyrrolidin-3-yl]carbamic acid is CN(C(=O)O)[C@H]1CCNC1.
What is the InChIKey of methyl-[(3S)-pyrrolidin-3-yl]carbamic acid?
The InChIKey is CWFODZHVCJONPU-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-8(6(9)10)5-2-3-7-4-5/h5,7H,2-4H2,1H3,(H,9,10)/t5-/m0/s1.
What are the key properties of methyl-[(3S)-pyrrolidin-3-yl]carbamic acid?
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid has a molecular weight of 144.17 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(3S)-pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 66936290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).