formic acid;2-[4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]piperidin-1-yl]acetic acid

C16H25N3O6 — CID 154912573

IUPACformic acid;2-[4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]piperidin-1-yl]acetic acid
SMILESC=CCN1CC(C(=O)NC2CCN(CC(=O)O)CC2)CC1=O.O=CO
InChIInChI=1S/C15H23N3O4.CH2O2/c1-2-5-18-9-11(8-13(18)19)15(22)16-12-3-6-17(7-4-12)10-14(20)21;2-1-3/h2,11-12H,1,3-10H2,(H,16,22)(H,20,21);1H,(H,2,3)
InChIKeyCREQNVWEPBJQIZ-UHFFFAOYSA-N
MW355.39 g/mol
LogP-0.61
Rot. Bonds6

About formic acid;2-[4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]piperidin-1-yl]acetic acid

formic acid;2-[4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]piperidin-1-yl]acetic acid (PubChem CID 154912573) has the molecular formula C16H25N3O6 and a molecular weight of 355.39 g/mol. Its IUPAC name is formic acid;2-[4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Nameformic acid;2-[4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]piperidin-1-yl]acetic acid
PubChem CID154912573
Molecular FormulaC16H25N3O6
Molecular Weight355.39 g/mol
Exact Mass355.17
IUPAC Nameformic acid;2-[4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]piperidin-1-yl]acetic acid
SMILESC=CCN1CC(C(=O)NC2CCN(CC(=O)O)CC2)CC1=O.O=CO
InChIInChI=1S/C15H23N3O4.CH2O2/c1-2-5-18-9-11(8-13(18)19)15(22)16-12-3-6-17(7-4-12)10-14(20)21;2-1-3/h2,11-12H,1,3-10H2,(H,16,22)(H,20,21);1H,(H,2,3)
InChIKeyCREQNVWEPBJQIZ-UHFFFAOYSA-N
XLogP-0.61
TPSA127.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;2-[4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]piperidin-1-yl]acetic acid?
The IUPAC name of formic acid;2-[4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]piperidin-1-yl]acetic acid (CID 154912573) is formic acid;2-[4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]piperidin-1-yl]acetic acid.
What is the SMILES notation for formic acid;2-[4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]piperidin-1-yl]acetic acid?
The canonical SMILES for formic acid;2-[4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]piperidin-1-yl]acetic acid is C=CCN1CC(C(=O)NC2CCN(CC(=O)O)CC2)CC1=O.O=CO.
What is the InChIKey of formic acid;2-[4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]piperidin-1-yl]acetic acid?
The InChIKey is CREQNVWEPBJQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4.CH2O2/c1-2-5-18-9-11(8-13(18)19)15(22)16-12-3-6-17(7-4-12)10-14(20)21;2-1-3/h2,11-12H,1,3-10H2,(H,16,22)(H,20,21);1H,(H,2,3).
What are the key properties of formic acid;2-[4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]piperidin-1-yl]acetic acid?
formic acid;2-[4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]piperidin-1-yl]acetic acid has a molecular weight of 355.39 g/mol, XLogP of -0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]piperidin-1-yl]acetic acid is sourced from PubChem (CID 154912573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).