6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid

C11H19N3O4 — CID 106191828

IUPAC6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)NC1CNC(=O)C1
InChIInChI=1S/C11H19N3O4/c15-9-6-8(7-13-9)14-11(18)12-5-3-1-2-4-10(16)17/h8H,1-7H2,(H,13,15)(H,16,17)(H2,12,14,18)
InChIKeyKEMLJSIFWZEDJH-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.18
Rot. Bonds7

About 6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid

6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid (PubChem CID 106191828) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
PubChem CID106191828
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)NC1CNC(=O)C1
InChIInChI=1S/C11H19N3O4/c15-9-6-8(7-13-9)14-11(18)12-5-3-1-2-4-10(16)17/h8H,1-7H2,(H,13,15)(H,16,17)(H2,12,14,18)
InChIKeyKEMLJSIFWZEDJH-UHFFFAOYSA-N
XLogP-0.18
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea
CID 130625812
4-[2-[(5-oxopyrrolidin-3-yl)carbamoylamino]ethyl]heptanoic acid
CID 106191609
1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 95985030
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
2-hydroxy-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192133
2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 106186093
4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide
CID 60616890
5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732933
3-(ethylamino)-N-(5-oxopyrrolidin-3-yl)propanamide
CID 106187570
1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114156297
4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
CID 106192096
1-amino-3-(5-oxopyrrolidin-3-yl)urea
CID 106197369

Frequently Asked Questions

What is the IUPAC name of 6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid?
The IUPAC name of 6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid (CID 106191828) is 6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid?
The canonical SMILES for 6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid is O=C(O)CCCCCNC(=O)NC1CNC(=O)C1.
What is the InChIKey of 6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid?
The InChIKey is KEMLJSIFWZEDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c15-9-6-8(7-13-9)14-11(18)12-5-3-1-2-4-10(16)17/h8H,1-7H2,(H,13,15)(H,16,17)(H2,12,14,18).
What are the key properties of 6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid?
6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid has a molecular weight of 257.29 g/mol, XLogP of -0.18, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 106191828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).