4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid

C14H24N2O5 — CID 115965784

IUPAC4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)N1CCC(CO)C1)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O5/c1-2-4-16(12-9-21-8-11(12)13(18)19)14(20)15-5-3-10(6-15)7-17/h10-12,17H,2-9H2,1H3,(H,18,19)
InChIKeyDFWKCLSZXICIJQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.23
Rot. Bonds5

About 4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid

4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid (PubChem CID 115965784) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid
PubChem CID115965784
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)N1CCC(CO)C1)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O5/c1-2-4-16(12-9-21-8-11(12)13(18)19)14(20)15-5-3-10(6-15)7-17/h10-12,17H,2-9H2,1H3,(H,18,19)
InChIKeyDFWKCLSZXICIJQ-UHFFFAOYSA-N
XLogP0.23
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 102962016
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66245727
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265
4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 106316119
4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66257035
4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid
CID 66252918
4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 102962926
4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245344
4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 103162016
4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66251388
4-[(2-propan-2-ylsulfanylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66253390

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid (CID 115965784) is 4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)N1CCC(CO)C1)C1COCC1C(=O)O.
What is the InChIKey of 4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid?
The InChIKey is DFWKCLSZXICIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-2-4-16(12-9-21-8-11(12)13(18)19)14(20)15-5-3-10(6-15)7-17/h10-12,17H,2-9H2,1H3,(H,18,19).
What are the key properties of 4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid?
4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 115965784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).