[(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid

C6H12N2O3 — CID 146268670

IUPAC[(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid
SMILESC[C@]1(O)CNC[C@@H]1NC(=O)O
InChIInChI=1S/C6H12N2O3/c1-6(11)3-7-2-4(6)8-5(9)10/h4,7-8,11H,2-3H2,1H3,(H,9,10)/t4-,6-/m0/s1
InChIKeyPOQQHHHZCAPFOL-NJGYIYPDSA-N
MW160.17 g/mol
LogP-1.02
Rot. Bonds1

About [(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid

[(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid (PubChem CID 146268670) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is [(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid
PubChem CID146268670
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name[(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid
SMILESC[C@]1(O)CNC[C@@H]1NC(=O)O
InChIInChI=1S/C6H12N2O3/c1-6(11)3-7-2-4(6)8-5(9)10/h4,7-8,11H,2-3H2,1H3,(H,9,10)/t4-,6-/m0/s1
InChIKeyPOQQHHHZCAPFOL-NJGYIYPDSA-N
XLogP-1.02
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4S)-4-hydroxy-4-methylazepan-3-yl]carbamic acid
CID 155145551
[(3R,5S)-4-hydroxy-4,5-dimethylpiperidin-3-yl]carbamic acid
CID 90279528
2-azaspiro[4.4]nonan-4-ylcarbamic acid
CID 118173842
1-(4,4-dimethylpyrrolidin-3-yl)-3-ethylurea
CID 165445323
tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate
CID 45092197
[(3R)-5,5-difluoropiperidin-3-yl]carbamic acid
CID 146599209
(6,6-dimethylpiperidin-3-yl)carbamic acid
CID 174227842
4-tert-butyl-3-methylpyrrolidin-3-ol
CID 115012307
1-(4,4-dimethylpyrrolidin-3-yl)prop-2-en-1-one
CID 165464428
2,2-dimethyl-6-azaspiro[3.4]octane-8-carboxylic acid
CID 131143190
N-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide;hydrochloride
CID 19429317
N-(4,4-dimethylpyrrolidin-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 167810797

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid (CID 146268670) is [(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid is C[C@]1(O)CNC[C@@H]1NC(=O)O.
What is the InChIKey of [(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid?
The InChIKey is POQQHHHZCAPFOL-NJGYIYPDSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-6(11)3-7-2-4(6)8-5(9)10/h4,7-8,11H,2-3H2,1H3,(H,9,10)/t4-,6-/m0/s1.
What are the key properties of [(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid?
[(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid has a molecular weight of 160.17 g/mol, XLogP of -1.02, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 146268670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).