[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamic acid

C7H14N2O3 — CID 137480787

IUPAC[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamic acid
SMILESCOC[C@@H]1CNC[C@@H]1NC(=O)O
InChIInChI=1S/C7H14N2O3/c1-12-4-5-2-8-3-6(5)9-7(10)11/h5-6,8-9H,2-4H2,1H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyXDVHELKIOXVRGM-WDSKDSINSA-N
MW174.20 g/mol
LogP-0.51
Rot. Bonds3

About [(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamic acid

[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamic acid (PubChem CID 137480787) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is [(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamic acid
PubChem CID137480787
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamic acid
SMILESCOC[C@@H]1CNC[C@@H]1NC(=O)O
InChIInChI=1S/C7H14N2O3/c1-12-4-5-2-8-3-6(5)9-7(10)11/h5-6,8-9H,2-4H2,1H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyXDVHELKIOXVRGM-WDSKDSINSA-N
XLogP-0.51
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamic acid (CID 137480787) is [(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamic acid is COC[C@@H]1CNC[C@@H]1NC(=O)O.
What is the InChIKey of [(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is XDVHELKIOXVRGM-WDSKDSINSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-12-4-5-2-8-3-6(5)9-7(10)11/h5-6,8-9H,2-4H2,1H3,(H,10,11)/t5-,6-/m0/s1.
What are the key properties of [(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamic acid?
[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 174.20 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 137480787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).