[(2S,3S)-2-cyclopropyl-5-oxopyrrolidin-3-yl]carbamic acid

C8H12N2O3 — CID 138684888

IUPAC[(2S,3S)-2-cyclopropyl-5-oxopyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@H]1CC(=O)N[C@H]1C1CC1
InChIInChI=1S/C8H12N2O3/c11-6-3-5(9-8(12)13)7(10-6)4-1-2-4/h4-5,7,9H,1-3H2,(H,10,11)(H,12,13)/t5-,7-/m0/s1
InChIKeyFLNJINNZFSEBLJ-FSPLSTOPSA-N
MW184.19 g/mol
LogP-0.08
Rot. Bonds2

About [(2S,3S)-2-cyclopropyl-5-oxopyrrolidin-3-yl]carbamic acid

[(2S,3S)-2-cyclopropyl-5-oxopyrrolidin-3-yl]carbamic acid (PubChem CID 138684888) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is [(2S,3S)-2-cyclopropyl-5-oxopyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(2S,3S)-2-cyclopropyl-5-oxopyrrolidin-3-yl]carbamic acid
PubChem CID138684888
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name[(2S,3S)-2-cyclopropyl-5-oxopyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@H]1CC(=O)N[C@H]1C1CC1
InChIInChI=1S/C8H12N2O3/c11-6-3-5(9-8(12)13)7(10-6)4-1-2-4/h4-5,7,9H,1-3H2,(H,10,11)(H,12,13)/t5-,7-/m0/s1
InChIKeyFLNJINNZFSEBLJ-FSPLSTOPSA-N
XLogP-0.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-cyclopropyl-5-oxopyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(2S,3S)-2-cyclopropyl-5-oxopyrrolidin-3-yl]carbamic acid (CID 138684888) is [(2S,3S)-2-cyclopropyl-5-oxopyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(2S,3S)-2-cyclopropyl-5-oxopyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(2S,3S)-2-cyclopropyl-5-oxopyrrolidin-3-yl]carbamic acid is O=C(O)N[C@H]1CC(=O)N[C@H]1C1CC1.
What is the InChIKey of [(2S,3S)-2-cyclopropyl-5-oxopyrrolidin-3-yl]carbamic acid?
The InChIKey is FLNJINNZFSEBLJ-FSPLSTOPSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-6-3-5(9-8(12)13)7(10-6)4-1-2-4/h4-5,7,9H,1-3H2,(H,10,11)(H,12,13)/t5-,7-/m0/s1.
What are the key properties of [(2S,3S)-2-cyclopropyl-5-oxopyrrolidin-3-yl]carbamic acid?
[(2S,3S)-2-cyclopropyl-5-oxopyrrolidin-3-yl]carbamic acid has a molecular weight of 184.19 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-cyclopropyl-5-oxopyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 138684888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).