[(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid

C6H12N2O3 — CID 67454296

IUPAC[(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@H]1CN[C@@H](CO)C1
InChIInChI=1S/C6H12N2O3/c9-3-5-1-4(2-7-5)8-6(10)11/h4-5,7-9H,1-3H2,(H,10,11)/t4-,5-/m1/s1
InChIKeyHALMHLQVTZLDDJ-RFZPGFLSSA-N
MW160.17 g/mol
LogP-1.02
Rot. Bonds2

About [(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid

[(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid (PubChem CID 67454296) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is [(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid
PubChem CID67454296
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name[(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@H]1CN[C@@H](CO)C1
InChIInChI=1S/C6H12N2O3/c9-3-5-1-4(2-7-5)8-6(10)11/h4-5,7-9H,1-3H2,(H,10,11)/t4-,5-/m1/s1
InChIKeyHALMHLQVTZLDDJ-RFZPGFLSSA-N
XLogP-1.02
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid (CID 67454296) is [(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid is O=C(O)N[C@H]1CN[C@@H](CO)C1.
What is the InChIKey of [(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is HALMHLQVTZLDDJ-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H12N2O3/c9-3-5-1-4(2-7-5)8-6(10)11/h4-5,7-9H,1-3H2,(H,10,11)/t4-,5-/m1/s1.
What are the key properties of [(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid?
[(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 160.17 g/mol, XLogP of -1.02, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 67454296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).