1-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C10H14N2O4 — CID 115449520

IUPAC1-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C1CCC(C(=O)NCC2(C(=O)O)CC2)N1
InChIInChI=1S/C10H14N2O4/c13-7-2-1-6(12-7)8(14)11-5-10(3-4-10)9(15)16/h6H,1-5H2,(H,11,14)(H,12,13)(H,15,16)
InChIKeyWOMDAMUKKVMIMC-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.75
Rot. Bonds4

About 1-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449520) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115449520
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name1-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C1CCC(C(=O)NCC2(C(=O)O)CC2)N1
InChIInChI=1S/C10H14N2O4/c13-7-2-1-6(12-7)8(14)11-5-10(3-4-10)9(15)16/h6H,1-5H2,(H,11,14)(H,12,13)(H,15,16)
InChIKeyWOMDAMUKKVMIMC-UHFFFAOYSA-N
XLogP-0.75
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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l-Pyroglutamyl-l-aspartic acid
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CID 24695916
4-[4-(5-Oxo-2-pyrrolidinylcarbonylamino)butyrylamino]butyric acid
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3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
CID 22799703
4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoic acid
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4-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoic acid
CID 28183693

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115449520) is 1-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is O=C1CCC(C(=O)NCC2(C(=O)O)CC2)N1.
What is the InChIKey of 1-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is WOMDAMUKKVMIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-7-2-1-6(12-7)8(14)11-5-10(3-4-10)9(15)16/h6H,1-5H2,(H,11,14)(H,12,13)(H,15,16).
What are the key properties of 1-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of -0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).