3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid

C10H17N3O4 — CID 122016506

IUPAC3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
SMILESCCN1CC(NC(=O)NCCC(=O)O)CC1=O
InChIInChI=1S/C10H17N3O4/c1-2-13-6-7(5-8(13)14)12-10(17)11-4-3-9(15)16/h7H,2-6H2,1H3,(H,15,16)(H2,11,12,17)
InChIKeyUKAQDDORJLEELX-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.62
Rot. Bonds5

About 3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid

3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid (PubChem CID 122016506) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
PubChem CID122016506
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
SMILESCCN1CC(NC(=O)NCCC(=O)O)CC1=O
InChIInChI=1S/C10H17N3O4/c1-2-13-6-7(5-8(13)14)12-10(17)11-4-3-9(15)16/h7H,2-6H2,1H3,(H,15,16)(H2,11,12,17)
InChIKeyUKAQDDORJLEELX-UHFFFAOYSA-N
XLogP-0.62
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid (CID 122016506) is 3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid is CCN1CC(NC(=O)NCCC(=O)O)CC1=O.
What is the InChIKey of 3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid?
The InChIKey is UKAQDDORJLEELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-2-13-6-7(5-8(13)14)12-10(17)11-4-3-9(15)16/h7H,2-6H2,1H3,(H,15,16)(H2,11,12,17).
What are the key properties of 3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid?
3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid has a molecular weight of 243.26 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 122016506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).