5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid

C11H19N3O5 — CID 114156282

IUPAC5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
SMILESCOCCCC(NC(=O)NC1CNC(=O)C1)C(=O)O
InChIInChI=1S/C11H19N3O5/c1-19-4-2-3-8(10(16)17)14-11(18)13-7-5-9(15)12-6-7/h7-8H,2-6H2,1H3,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyQLINORLDAQBCQD-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.95
Rot. Bonds7

About 5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid

5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid (PubChem CID 114156282) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
PubChem CID114156282
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
SMILESCOCCCC(NC(=O)NC1CNC(=O)C1)C(=O)O
InChIInChI=1S/C11H19N3O5/c1-19-4-2-3-8(10(16)17)14-11(18)13-7-5-9(15)12-6-7/h7-8H,2-6H2,1H3,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyQLINORLDAQBCQD-UHFFFAOYSA-N
XLogP-0.95
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 106192089
4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 114156284
(2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192063
(2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 112734945
4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 114156262
2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid
CID 62478798
2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid
CID 81079004
5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 106192144
2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084056
2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid
CID 106184659
2-hydroxy-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192133
5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 81076344

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid (CID 114156282) is 5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid is COCCCC(NC(=O)NC1CNC(=O)C1)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid?
The InChIKey is QLINORLDAQBCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-19-4-2-3-8(10(16)17)14-11(18)13-7-5-9(15)12-6-7/h7-8H,2-6H2,1H3,(H,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid?
5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid has a molecular weight of 273.29 g/mol, XLogP of -0.95, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 114156282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).