2-amino-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-1-carboxamide

C7H14N4O3 — CID 87991804

IUPAC2-amino-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-1-carboxamide
SMILESNC1CCCN1C(=O)NCC(=O)NO
InChIInChI=1S/C7H14N4O3/c8-5-2-1-3-11(5)7(13)9-4-6(12)10-14/h5,14H,1-4,8H2,(H,9,13)(H,10,12)
InChIKeyHEEKVMNFCFCLLA-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.42
Rot. Bonds2

About 2-amino-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-1-carboxamide

2-amino-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-1-carboxamide (PubChem CID 87991804) has the molecular formula C7H14N4O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-amino-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-1-carboxamide
PubChem CID87991804
Molecular FormulaC7H14N4O3
Molecular Weight202.21 g/mol
Exact Mass202.11
IUPAC Name2-amino-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-1-carboxamide
SMILESNC1CCCN1C(=O)NCC(=O)NO
InChIInChI=1S/C7H14N4O3/c8-5-2-1-3-11(5)7(13)9-4-6(12)10-14/h5,14H,1-4,8H2,(H,9,13)(H,10,12)
InChIKeyHEEKVMNFCFCLLA-UHFFFAOYSA-N
XLogP-1.42
TPSA107.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-amino-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-1-carboxamide (CID 87991804) is 2-amino-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-amino-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-1-carboxamide is NC1CCCN1C(=O)NCC(=O)NO.
What is the InChIKey of 2-amino-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-1-carboxamide?
The InChIKey is HEEKVMNFCFCLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3/c8-5-2-1-3-11(5)7(13)9-4-6(12)10-14/h5,14H,1-4,8H2,(H,9,13)(H,10,12).
What are the key properties of 2-amino-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-1-carboxamide?
2-amino-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-1-carboxamide has a molecular weight of 202.21 g/mol, XLogP of -1.42, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 87991804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).