(2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide

C7H13N3O3 — CID 10419946

IUPAC(2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESO=C(CNC(=O)[C@@H]1CCCN1)NO
InChIInChI=1S/C7H13N3O3/c11-6(10-13)4-9-7(12)5-2-1-3-8-5/h5,8,13H,1-4H2,(H,9,12)(H,10,11)/t5-/m0/s1
InChIKeyYACKNAZYNBDJSP-YFKPBYRVSA-N
MW187.20 g/mol
LogP-1.64
Rot. Bonds3

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

(2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 10419946) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is (2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID10419946
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name(2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESO=C(CNC(=O)[C@@H]1CCCN1)NO
InChIInChI=1S/C7H13N3O3/c11-6(10-13)4-9-7(12)5-2-1-3-8-5/h5,8,13H,1-4H2,(H,9,12)(H,10,11)/t5-/m0/s1
InChIKeyYACKNAZYNBDJSP-YFKPBYRVSA-N
XLogP-1.64
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-1.64
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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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43419759
N-[2-(cyclopentylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 83620464
(2S)-N-[2-oxo-2-[8-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]octylamino]ethyl]pyrrolidine-2-carboxamide
CID 102333341
N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43419751
(2R)-N-[2-[(2-aminoacetyl)amino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 66887574
N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
CID 18324145
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119272921
N-[2-oxo-2-(propylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119271449
(2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 103796173
N-[2-(cyclopropylamino)-2-oxoethyl]piperidine-2-carboxamide
CID 43515304
N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 112703892
(2S)-N-(2-cyclohexyl-2-oxoethyl)pyrrolidine-2-carboxamide
CID 141027681

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 10419946) is (2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide is O=C(CNC(=O)[C@@H]1CCCN1)NO.
What is the InChIKey of (2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is YACKNAZYNBDJSP-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13N3O3/c11-6(10-13)4-9-7(12)5-2-1-3-8-5/h5,8,13H,1-4H2,(H,9,12)(H,10,11)/t5-/m0/s1.
What are the key properties of (2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
(2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 187.20 g/mol, XLogP of -1.64, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10419946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).