2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetic acid

C7H11N3O3 — CID 6394483

IUPAC2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetic acid
SMILESNC(=O)/N=C1\CCCN1CC(=O)O
InChIInChI=1S/C7H11N3O3/c8-7(13)9-5-2-1-3-10(5)4-6(11)12/h1-4H2,(H2,8,13)(H,11,12)/b9-5+
InChIKeyBIZCLBYCUPABAD-WEVVVXLNSA-N
MW185.18 g/mol
LogP-0.36
Rot. Bonds2

About 2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetic acid

2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetic acid (PubChem CID 6394483) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetic acid
PubChem CID6394483
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetic acid
SMILESNC(=O)/N=C1\CCCN1CC(=O)O
InChIInChI=1S/C7H11N3O3/c8-7(13)9-5-2-1-3-10(5)4-6(11)12/h1-4H2,(H2,8,13)(H,11,12)/b9-5+
InChIKeyBIZCLBYCUPABAD-WEVVVXLNSA-N
XLogP-0.36
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetic acid (CID 6394483) is 2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetic acid is NC(=O)/N=C1\CCCN1CC(=O)O.
What is the InChIKey of 2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetic acid?
The InChIKey is BIZCLBYCUPABAD-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H11N3O3/c8-7(13)9-5-2-1-3-10(5)4-6(11)12/h1-4H2,(H2,8,13)(H,11,12)/b9-5+.
What are the key properties of 2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetic acid?
2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetic acid has a molecular weight of 185.18 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 6394483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).