5-[[(2S,3S)-3-chloro-1-(3-hydroxypropyl)pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid;uranium

C14H19ClNO5U- — CID 59659409

IUPAC5-[[(2S,3S)-3-chloro-1-(3-hydroxypropyl)pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid;uranium
SMILESO=C(O)c1ccc(COC[C@H]2[C@@H](Cl)CCN2CC[CH-]O)o1.[U]
InChIInChI=1S/C14H19ClNO5.U/c15-11-4-6-16(5-1-7-17)12(11)9-20-8-10-2-3-13(21-10)14(18)19;/h2-3,7,11-12,17H,1,4-6,8-9H2,(H,18,19);/q-1;/t11-,12-;/m0./s1
InChIKeyXFQGZPYPHULMNB-FXMYHANSSA-N
MW554.79 g/mol
LogP2.10
Rot. Bonds8

About 5-[[(2S,3S)-3-chloro-1-(3-hydroxypropyl)pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid;uranium

5-[[(2S,3S)-3-chloro-1-(3-hydroxypropyl)pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid;uranium (PubChem CID 59659409) has the molecular formula C14H19ClNO5U- and a molecular weight of 554.79 g/mol. Its IUPAC name is 5-[[(2S,3S)-3-chloro-1-(3-hydroxypropyl)pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid;uranium.

Molecular Properties

Compound Name5-[[(2S,3S)-3-chloro-1-(3-hydroxypropyl)pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid;uranium
PubChem CID59659409
Molecular FormulaC14H19ClNO5U-
Molecular Weight554.79 g/mol
Exact Mass554.15
IUPAC Name5-[[(2S,3S)-3-chloro-1-(3-hydroxypropyl)pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid;uranium
SMILESO=C(O)c1ccc(COC[C@H]2[C@@H](Cl)CCN2CC[CH-]O)o1.[U]
InChIInChI=1S/C14H19ClNO5.U/c15-11-4-6-16(5-1-7-17)12(11)9-20-8-10-2-3-13(21-10)14(18)19;/h2-3,7,11-12,17H,1,4-6,8-9H2,(H,18,19);/q-1;/t11-,12-;/m0./s1
InChIKeyXFQGZPYPHULMNB-FXMYHANSSA-N
XLogP2.10
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.79
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,3S)-3-chloro-1-(3-hydroxypropyl)pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid;uranium?
The IUPAC name of 5-[[(2S,3S)-3-chloro-1-(3-hydroxypropyl)pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid;uranium (CID 59659409) is 5-[[(2S,3S)-3-chloro-1-(3-hydroxypropyl)pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid;uranium.
What is the SMILES notation for 5-[[(2S,3S)-3-chloro-1-(3-hydroxypropyl)pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid;uranium?
The canonical SMILES for 5-[[(2S,3S)-3-chloro-1-(3-hydroxypropyl)pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid;uranium is O=C(O)c1ccc(COC[C@H]2[C@@H](Cl)CCN2CC[CH-]O)o1.[U].
What is the InChIKey of 5-[[(2S,3S)-3-chloro-1-(3-hydroxypropyl)pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid;uranium?
The InChIKey is XFQGZPYPHULMNB-FXMYHANSSA-N. The full InChI is InChI=1S/C14H19ClNO5.U/c15-11-4-6-16(5-1-7-17)12(11)9-20-8-10-2-3-13(21-10)14(18)19;/h2-3,7,11-12,17H,1,4-6,8-9H2,(H,18,19);/q-1;/t11-,12-;/m0./s1.
What are the key properties of 5-[[(2S,3S)-3-chloro-1-(3-hydroxypropyl)pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid;uranium?
5-[[(2S,3S)-3-chloro-1-(3-hydroxypropyl)pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid;uranium has a molecular weight of 554.79 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S,3S)-3-chloro-1-(3-hydroxypropyl)pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid;uranium is sourced from PubChem (CID 59659409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).