2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid

C11H16N2O5 — CID 63914040

IUPAC2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C11H16N2O5/c14-9-3-8(5-13(9)4-7-1-2-7)11(17)12-18-6-10(15)16/h7-8H,1-6H2,(H,12,17)(H,15,16)
InChIKeyVXBYXDJLPCIHCQ-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.62
Rot. Bonds6

About 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid

2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid (PubChem CID 63914040) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid
PubChem CID63914040
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C11H16N2O5/c14-9-3-8(5-13(9)4-7-1-2-7)11(17)12-18-6-10(15)16/h7-8H,1-6H2,(H,12,17)(H,15,16)
InChIKeyVXBYXDJLPCIHCQ-UHFFFAOYSA-N
XLogP-0.62
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 112550437
methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 94094068
2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 78860962
(2S)-2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 61143393
3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid
CID 81063469
1-(cyclopropylmethyl)-N-(3-methyl-2-propan-2-ylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 102914550
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353286
cyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 95352331
1-(cyclopropylmethyl)-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 43429828
N-(2-amino-2-oxoethoxy)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 112550970
1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 104630050
5-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-3-carboxylic acid
CID 168691313

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid?
The IUPAC name of 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid (CID 63914040) is 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid is O=C(O)CONC(=O)C1CC(=O)N(CC2CC2)C1.
What is the InChIKey of 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid?
The InChIKey is VXBYXDJLPCIHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c14-9-3-8(5-13(9)4-7-1-2-7)11(17)12-18-6-10(15)16/h7-8H,1-6H2,(H,12,17)(H,15,16).
What are the key properties of 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid?
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid has a molecular weight of 256.26 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid is sourced from PubChem (CID 63914040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).