3-(3-amino-1-ethyl-2-oxopyrrolidin-3-yl)propanoic acid

C9H16N2O3 — CID 70060435

IUPAC3-(3-amino-1-ethyl-2-oxopyrrolidin-3-yl)propanoic acid
SMILESCCN1CCC(N)(CCC(=O)O)C1=O
InChIInChI=1S/C9H16N2O3/c1-2-11-6-5-9(10,8(11)14)4-3-7(12)13/h2-6,10H2,1H3,(H,12,13)
InChIKeyCMNZULBIOTZBEY-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.20
Rot. Bonds4

About 3-(3-amino-1-ethyl-2-oxopyrrolidin-3-yl)propanoic acid

3-(3-amino-1-ethyl-2-oxopyrrolidin-3-yl)propanoic acid (PubChem CID 70060435) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(3-amino-1-ethyl-2-oxopyrrolidin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-amino-1-ethyl-2-oxopyrrolidin-3-yl)propanoic acid
PubChem CID70060435
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-(3-amino-1-ethyl-2-oxopyrrolidin-3-yl)propanoic acid
SMILESCCN1CCC(N)(CCC(=O)O)C1=O
InChIInChI=1S/C9H16N2O3/c1-2-11-6-5-9(10,8(11)14)4-3-7(12)13/h2-6,10H2,1H3,(H,12,13)
InChIKeyCMNZULBIOTZBEY-UHFFFAOYSA-N
XLogP-0.20
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 57050483
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CID 57121848
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CID 58613194
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CID 58836629
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CID 59400521
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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1-ethyl-2-oxopyrrolidin-3-yl)propanoic acid?
The IUPAC name of 3-(3-amino-1-ethyl-2-oxopyrrolidin-3-yl)propanoic acid (CID 70060435) is 3-(3-amino-1-ethyl-2-oxopyrrolidin-3-yl)propanoic acid.
What is the SMILES notation for 3-(3-amino-1-ethyl-2-oxopyrrolidin-3-yl)propanoic acid?
The canonical SMILES for 3-(3-amino-1-ethyl-2-oxopyrrolidin-3-yl)propanoic acid is CCN1CCC(N)(CCC(=O)O)C1=O.
What is the InChIKey of 3-(3-amino-1-ethyl-2-oxopyrrolidin-3-yl)propanoic acid?
The InChIKey is CMNZULBIOTZBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-11-6-5-9(10,8(11)14)4-3-7(12)13/h2-6,10H2,1H3,(H,12,13).
What are the key properties of 3-(3-amino-1-ethyl-2-oxopyrrolidin-3-yl)propanoic acid?
3-(3-amino-1-ethyl-2-oxopyrrolidin-3-yl)propanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1-ethyl-2-oxopyrrolidin-3-yl)propanoic acid is sourced from PubChem (CID 70060435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).