3-[1-(3-methyloxane-4-carbonyl)pyrrolidin-3-yl]propanoic acid

C14H23NO4 — CID 114240984

IUPAC3-[1-(3-methyloxane-4-carbonyl)pyrrolidin-3-yl]propanoic acid
SMILESCC1COCCC1C(=O)N1CCC(CCC(=O)O)C1
InChIInChI=1S/C14H23NO4/c1-10-9-19-7-5-12(10)14(18)15-6-4-11(8-15)2-3-13(16)17/h10-12H,2-9H2,1H3,(H,16,17)
InChIKeyAQXIMAGBRZYVLQ-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.37
Rot. Bonds4

About 3-[1-(3-methyloxane-4-carbonyl)pyrrolidin-3-yl]propanoic acid

3-[1-(3-methyloxane-4-carbonyl)pyrrolidin-3-yl]propanoic acid (PubChem CID 114240984) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[1-(3-methyloxane-4-carbonyl)pyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-methyloxane-4-carbonyl)pyrrolidin-3-yl]propanoic acid
PubChem CID114240984
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-[1-(3-methyloxane-4-carbonyl)pyrrolidin-3-yl]propanoic acid
SMILESCC1COCCC1C(=O)N1CCC(CCC(=O)O)C1
InChIInChI=1S/C14H23NO4/c1-10-9-19-7-5-12(10)14(18)15-6-4-11(8-15)2-3-13(16)17/h10-12H,2-9H2,1H3,(H,16,17)
InChIKeyAQXIMAGBRZYVLQ-UHFFFAOYSA-N
XLogP1.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-methyloxane-4-carbonyl)morpholin-2-yl]acetic acid
CID 114240971
3-[1-(3-methyloxan-4-yl)piperidin-4-yl]propanoic acid
CID 114240730
3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid
CID 66267039
3-[1-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 114679445
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 115746294
3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 115867224
[3-(2-chloroethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 114801260
2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 115730377
3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid
CID 129468511
2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114797273
[3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79758718
3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid
CID 102779251

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methyloxane-4-carbonyl)pyrrolidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(3-methyloxane-4-carbonyl)pyrrolidin-3-yl]propanoic acid (CID 114240984) is 3-[1-(3-methyloxane-4-carbonyl)pyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-methyloxane-4-carbonyl)pyrrolidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-methyloxane-4-carbonyl)pyrrolidin-3-yl]propanoic acid is CC1COCCC1C(=O)N1CCC(CCC(=O)O)C1.
What is the InChIKey of 3-[1-(3-methyloxane-4-carbonyl)pyrrolidin-3-yl]propanoic acid?
The InChIKey is AQXIMAGBRZYVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10-9-19-7-5-12(10)14(18)15-6-4-11(8-15)2-3-13(16)17/h10-12H,2-9H2,1H3,(H,16,17).
What are the key properties of 3-[1-(3-methyloxane-4-carbonyl)pyrrolidin-3-yl]propanoic acid?
3-[1-(3-methyloxane-4-carbonyl)pyrrolidin-3-yl]propanoic acid has a molecular weight of 269.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methyloxane-4-carbonyl)pyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 114240984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).