[(3S,4S)-4-(2-oxopyrrolidin-1-yl)pyrrolidin-3-yl]carbamic acid

C9H15N3O3 — CID 68839779

IUPAC[(3S,4S)-4-(2-oxopyrrolidin-1-yl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@H]1CNC[C@@H]1N1CCCC1=O
InChIInChI=1S/C9H15N3O3/c13-8-2-1-3-12(8)7-5-10-4-6(7)11-9(14)15/h6-7,10-11H,1-5H2,(H,14,15)/t6-,7-/m0/s1
InChIKeyOCCACWMVTFLAHV-BQBZGAKWSA-N
MW213.24 g/mol
LogP-0.78
Rot. Bonds2

About [(3S,4S)-4-(2-oxopyrrolidin-1-yl)pyrrolidin-3-yl]carbamic acid

[(3S,4S)-4-(2-oxopyrrolidin-1-yl)pyrrolidin-3-yl]carbamic acid (PubChem CID 68839779) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is [(3S,4S)-4-(2-oxopyrrolidin-1-yl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S,4S)-4-(2-oxopyrrolidin-1-yl)pyrrolidin-3-yl]carbamic acid
PubChem CID68839779
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name[(3S,4S)-4-(2-oxopyrrolidin-1-yl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@H]1CNC[C@@H]1N1CCCC1=O
InChIInChI=1S/C9H15N3O3/c13-8-2-1-3-12(8)7-5-10-4-6(7)11-9(14)15/h6-7,10-11H,1-5H2,(H,14,15)/t6-,7-/m0/s1
InChIKeyOCCACWMVTFLAHV-BQBZGAKWSA-N
XLogP-0.78
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-(2-oxopyrrolidin-1-yl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3S,4S)-4-(2-oxopyrrolidin-1-yl)pyrrolidin-3-yl]carbamic acid (CID 68839779) is [(3S,4S)-4-(2-oxopyrrolidin-1-yl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S,4S)-4-(2-oxopyrrolidin-1-yl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3S,4S)-4-(2-oxopyrrolidin-1-yl)pyrrolidin-3-yl]carbamic acid is O=C(O)N[C@H]1CNC[C@@H]1N1CCCC1=O.
What is the InChIKey of [(3S,4S)-4-(2-oxopyrrolidin-1-yl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is OCCACWMVTFLAHV-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H15N3O3/c13-8-2-1-3-12(8)7-5-10-4-6(7)11-9(14)15/h6-7,10-11H,1-5H2,(H,14,15)/t6-,7-/m0/s1.
What are the key properties of [(3S,4S)-4-(2-oxopyrrolidin-1-yl)pyrrolidin-3-yl]carbamic acid?
[(3S,4S)-4-(2-oxopyrrolidin-1-yl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 213.24 g/mol, XLogP of -0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-(2-oxopyrrolidin-1-yl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 68839779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).